Vitas-M small molecule compound
ethyl 2-({[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL025791
SMILES CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCCC4)sc2c1CCCC2
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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 C29H29N3O4S3 MW 579.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O4S3/c1-2-36-28(35)24-19-13-7-9-15-21(19)39-26(24)30-22(33)16-37-29-31-25-23(18-12-6-8-14-20(18)38-25)27(34)32(29)17-10-4-3-5-11-17/h3-5,10-11H,2,6-9,12-16H2,1H3,(H,30,33)InChIKey
FNCNEXNERJOCBZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=CC=C6
ethyl2((((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC29H29N3O4S3c123628(35)241913791521(19)3926(24)3022(33)163729312523(1812681420(18)3825)27(34)32(29)17104351117h351011H2691216H21H3(H3033)
MFCD03291753
ZINC000100759256
ZINC100759256
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