Vitas-M small molecule compound
2-(4-{3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(4-hydroxy-3-methoxyphenyl)propanoyl}-1,4-diazepan-1-yl)-N,N-dimethylacetamide
Catalog ID
STL551810
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCCN(CC1)CC(=O)N(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C35H42ClN3O10 MW 700.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42ClN3O10/c1-19-14-23(41)29(33(44)35(19)34(45)30-25(47-5)17-26(48-6)31(36)32(30)49-35)21(20-8-9-22(40)24(15-20)46-4)16-27(42)39-11-7-10-38(12-13-39)18-28(43)37(2)3/h8-9,15,17,19,21,40,44H,7,10-14,16,18H2,1-6H3/t19-,21?,35+/m1/s1InChIKey
YTDRUJJSGXYICX-FCZPWXHGSA-NSynonyms
135640152
2(4(3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanoyl)14diazepan1yl)NNdimethylacetamide
2(4(3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanoyl)14diazepan1yl)~(N)~(N)dimethylacetamide
2(4(3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)PROPANOYL)14DIAZEPAN1YL)NNDIMETHYLACETAMI
2(4(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanoyl)14diazepan1yl)NNdimethylacetamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCCN(CC1)CC(=O)N(C)C
InChI=1SC35H42ClN3O10c1191423(41)29(33(44)35(19)34(45)3025(475)1726(486)31(36)32(30)4935)21(208922(40)24(1520)464)1627(42)391171038(121339)1828(43)37(2)3h89151719214044H710141618H216H3t1921?35+m1s1
ZINC001547208634
ZINC001547208635
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