Vitas-M small molecule compound
N-(2-ethyl-6-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK699336
SMILES CCc1cccc(c1NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)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 C28H29N3O2S2 MW 503.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O2S2/c1-4-19-9-7-8-18(3)25(19)29-23(32)16-34-28-30-26-24(21-10-5-6-11-22(21)35-26)27(33)31(28)20-14-12-17(2)13-15-20/h7-9,12-15H,4-6,10-11,16H2,1-3H3,(H,29,32)InChIKey
BJPYKNCGTVPZJZ-UHFFFAOYSA-NSynonyms
332947-23-6332947236
CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)C)C
InChI=1SC28H29N3O2S2c141997818(3)25(19)2923(32)163428302624(2110561122(21)3526)27(33)31(28)20141217(2)131520h791215H46101116H213H3(H2932)
MFCD02739482
N(2ethyl6methylphenyl)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2ethyl6methylphenyl)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
N(2ethyl6methylphenyl)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000002074030
ZINC02074030
ZINC2074030
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