Vitas-M small molecule compound
N-(2-methoxy-5-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
STK076815
SMILES COc1ccc(cc1NC(=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 C27H27N3O3S2 MW 505.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S2/c1-16-8-11-18(12-9-16)30-26(32)24-19-6-4-5-7-22(19)35-25(24)29-27(30)34-15-23(31)28-20-14-17(2)10-13-21(20)33-3/h8-14H,4-7,15H2,1-3H3,(H,28,31)InChIKey
LHKKDRGOCRTLJS-UHFFFAOYSA-NSynonyms
499124-16-2499124162
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC(=C4)C)OC)SC5=C3CCCC5
COc1ccc(cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)C
InChI=1SC27H27N3O3S2c11681118(12916)3026(32)2419645722(19)3525(24)2927(30)341523(31)28201417(2)101321(20)333h814H4715H213H3(H2831)
MFCD03224271
N(2methoxy5methylphenyl)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2methoxy5methylphenyl)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
N(2methoxy5methylphenyl)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
STK076815
ZINC000002224931
ZINC02224931
ZINC2224931
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