Vitas-M small molecule compound
diethyl 2,2'-[(1,5-dioxopentane-1,5-diyl)diimino]bis(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate)
Catalog ID
STK445002
SMILES CCOC(=O)c1c(NC(=O)CCCC(=O)Nc2sc3c(c2C(=O)OCC)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 C31H42N2O6S2 MW 602.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O6S2/c1-3-38-30(36)26-20-14-9-5-7-11-16-22(20)40-28(26)32-24(34)18-13-19-25(35)33-29-27(31(37)39-4-2)21-15-10-6-8-12-17-23(21)41-29/h3-19H2,1-2H3,(H,32,34)(H,33,35)InChIKey
HPJNJJJUDGEFNO-UHFFFAOYSA-NSynonyms
352700-25-5352700255
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CCCCCC4)C(=O)OCC
diethyl22((15dioxopentane15diyl)diimino)bis(456789hexahydrocycloocta(b)thiophene3carboxylate)
ethyl2((5((3ethoxycarbonyl456789hexahydrocycloocta(b)thiophen2yl)amino)5oxopentanoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC31H42N2O6S2c133830(36)262014957111622(20)4028(26)3224(34)18131925(35)332927(31(37)3942)21151068121723(21)4129h319H212H3(H3234)(H3335)
MFCD01920108
ZINC000008431984
ZINC08431984
ZINC8431984
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