Vitas-M small molecule compound
ethyl 4,5-dimethyl-2-({[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STK795895
SMILES CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCCC4)sc(c1C)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 C27H27N3O4S3 MW 553.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S3/c1-4-34-26(33)21-15(2)16(3)36-23(21)28-20(31)14-35-27-29-24-22(18-12-8-9-13-19(18)37-24)25(32)30(27)17-10-6-5-7-11-17/h5-7,10-11H,4,8-9,12-14H2,1-3H3,(H,28,31)InChIKey
VMXNUWRMBJQPFT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5
ethyl45dimethyl2((((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ethyl45dimethyl2((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ethyl45dimethyl2(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)thiophene3carboxylate
InChI=1SC27H27N3O4S3c143426(33)2115(2)16(3)3623(21)2820(31)143527292422(1812891319(18)3724)25(32)30(27)17106571117h571011H4891214H213H3(H2831)
MFCD02225622
ZINC000001771339
ZINC01771339
ZINC1771339
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