Vitas-M small molecule compound
dimethyl 2,2'-[pyridine-2,6-diylbis(carbonylimino)]bis(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate)
Catalog ID
STK448562
SMILES COC(=O)c1c(NC(=O)c2cccc(n2)C(=O)Nc2sc3c(c2C(=O)OC)CCCCCC3)sc2c1CCCCCC2
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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 C31H35N3O6S2 MW 609.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O6S2/c1-39-30(37)24-18-12-7-3-5-9-16-22(18)41-28(24)33-26(35)20-14-11-15-21(32-20)27(36)34-29-25(31(38)40-2)19-13-8-4-6-10-17-23(19)42-29/h11,14-15H,3-10,12-13,16-17H2,1-2H3,(H,33,35)(H,34,36)InChIKey
ZMESLOUANVXSGH-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=NC(=CC=C3)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)OC
dimethyl22(pyridine26diylbis(carbonylimino))bis(456789hexahydrocycloocta(b)thiophene3carboxylate)
InChI=1SC31H35N3O6S2c13930(37)24181273591622(18)4128(24)3326(35)2014111521(3220)27(36)342925(31(38)402)1913846101723(19)4229h111415H31012131617H212H3(H3335)(H3436)
methyl2((6((3methoxycarbonyl456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)pyridine2carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD03404114
ZINC000097948875
ZINC97948875
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