Vitas-M small molecule compound
diethyl 2,2'-[pyridine-2,5-diylbis(carbonylimino)]bis(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate)
Catalog ID
STK418049
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cn2)C(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)sc2c1CCCCC2
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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/c1-3-39-30(37)24-19-11-7-5-9-13-22(19)41-28(24)33-26(35)18-15-16-21(32-17-18)27(36)34-29-25(31(38)40-4-2)20-12-8-6-10-14-23(20)42-29/h15-17H,3-14H2,1-2H3,(H,33,35)(H,34,36)InChIKey
YJPAKGKUUNQANN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CN=C(C=C3)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OCC
diethyl22(pyridine25diylbis(carbonylimino))bis(5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate)
ethyl2((6((3ethoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)pyridine3carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC31H35N3O6S2c133930(37)2419117591322(19)4128(24)3326(35)18151621(321718)27(36)342925(31(38)4042)201286101423(20)4229h1517H314H212H3(H3335)(H3436)
MFCD01648062
ZINC000097948874
ZINC97948874
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