Vitas-M small molecule compound
diethyl 2,2'-[pyridine-2,6-diylbis(carbonylimino)]bis(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate)
Catalog ID
STL172766
SMILES CCOC(=O)c1c(NC(=O)c2cccc(n2)C(=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 C33H39N3O6S2 MW 637.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O6S2/c1-3-41-32(39)26-20-14-9-5-7-11-18-24(20)43-30(26)35-28(37)22-16-13-17-23(34-22)29(38)36-31-27(33(40)42-4-2)21-15-10-6-8-12-19-25(21)44-31/h13,16-17H,3-12,14-15,18-19H2,1-2H3,(H,35,37)(H,36,38)InChIKey
SBZUCFQCPRDJFS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=NC(=CC=C3)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)OCC
diethyl22(pyridine26diylbis(carbonylimino))bis(456789hexahydrocycloocta(b)thiophene3carboxylate)
ethyl2((6((3ethoxycarbonyl456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)pyridine2carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC33H39N3O6S2c134132(39)262014957111824(20)4330(26)3528(37)2216131723(3422)29(38)363127(33(40)4242)21151068121925(21)4431h131617H31214151819H212H3(H3537)(H3638)
MFCD02053696
ZINC000097959277
ZINC97959277
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