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-{3-methyl-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pentan-2-yl}-3-[4-(methylsulfanyl)phenyl]pro
Catalog ID
STL552421
SMILES CCC(C(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC)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 C43H48ClN3O9S MW 818.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H48ClN3O9S/c1-7-22(2)38(42(53)46-19-24-16-26(21-46)29-9-8-10-34(50)47(29)20-24)45-33(49)17-28(25-11-13-27(57-6)14-12-25)35-30(48)15-23(3)43(40(35)51)41(52)36-31(54-4)18-32(55-5)37(44)39(36)56-43/h8-14,18,22-24,26,28,38,51H,7,15-17,19-21H2,1-6HInChIKey
RTNGJMBDTPQNBX-KPFXECLHSA-NSynonyms
135640661
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(3methyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)pentan2yl)3(4methylsulfanylphenyl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(3methyl1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)pentan2yl)3(4(methylsulfanyl)phenyl)pro
CCC((C@@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC)C
InChI=1SC43H48ClN3O9Sc1722(2)38(42(53)4619241626(2146)29981034(50)47(29)2024)4533(49)1728(25111327(576)141225)3530(48)1523(3)43(40(35)51)41(52)3631(544)1832(555)37(44)39(36)5643h81418222426283851H715171921H216H3(H4549)t22?23?2426+28?38?43?m1s1
N3(4H)YL)PENTAN2YL)3(4(METHYLSULFANYL)PHENYL)PRO
ZINC001547139518
ZINC001547208876
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