Vitas-M small molecule compound
N-(3,5-dimethylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK699355
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nc2c(c1=O)c1CCCCc1s2
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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/c1-16-12-17(2)14-18(13-16)28-23(31)15-34-27-29-25-24(21-6-4-5-7-22(21)35-25)26(32)30(27)19-8-10-20(33-3)11-9-19/h8-14H,4-7,15H2,1-3H3,(H,28,31)InChIKey
QMISTAZCVOQSMD-UHFFFAOYSA-NSynonyms
476484-89-6476484896
CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC)C
InChI=1SC27H27N3O3S2c1161217(2)1418(1316)2823(31)153427292524(21645722(21)3525)26(32)30(27)1981020(333)11919h814H4715H213H3(H2831)
MFCD03473782
N(35dimethylphenyl)2((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(35dimethylphenyl)2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(35dimethylphenyl)2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002258705
ZINC02258705
ZINC2258705
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