Vitas-M small molecule compound
3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
Catalog ID
STL552492
SMILES COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC1C=CS(=O)(=O)C1
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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 C30H30ClNO11S MW 648.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClNO11S/c1-14-9-19(34)24(28(36)30(14)29(37)25-21(41-3)12-22(42-4)26(31)27(25)43-30)17(15-5-6-18(33)20(10-15)40-2)11-23(35)32-16-7-8-44(38,39)13-16/h5-8,10,12,14,16-17,33,36H,9,11,13H2,1-4H3,(H,32,35)InChIKey
KXYINTCTRXXFTC-UHFFFAOYSA-NSynonyms
135640718
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(11dioxido23dihydrothiophen3yl)3(4hydroxy3methoxyphenyl)propanamide
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(11dioxo23dihydrothiophen3yl)3(4hydroxy3methoxyphenyl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(11dioxido23dihydrothiophen3yl)3(4hydroxy3methoxyphenyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC1C=CS(=O)(=O)C1
InChI=1SC30H30ClNO11Sc114919(34)24(28(36)30(14)29(37)2521(413)1222(424)26(31)27(25)4330)17(155618(33)20(1015)402)1123(35)32167844(3839)1316h5810121416173336H91113H214H3(H3235)
ZINC000824595906
ZINC001615246974
Check stock
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Check stock on Vitas-MAvailable files
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