Vitas-M small molecule compound
2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Catalog ID
STL053197
SMILES O=C(Nc1ccc(cc1)Oc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
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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 C31H27N3O3S2 MW 553.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O3S2/c1-20-11-15-22(16-12-20)34-30(36)28-25-9-5-6-10-26(25)39-29(28)33-31(34)38-19-27(35)32-21-13-17-24(18-14-21)37-23-7-3-2-4-8-23/h2-4,7-8,11-18H,5-6,9-10,19H2,1H3,(H,32,35)InChIKey
FARCRJHEYRXSFB-UHFFFAOYSA-NSynonyms
2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4phenoxyphenyl)acetamide
2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4phenoxyphenyl)acetamide
2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4phenoxyphenyl)acetamide
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)SC6=C3CCCC6
InChI=1SC31H27N3O3S2c120111522(161220)3430(36)28259561026(25)3929(28)3331(34)381927(35)3221131724(181421)37237324823h24781118H5691019H21H3(H3235)
MFCD03224275
ZINC000100735816
ZINC100735816
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