Vitas-M small molecule compound
2-{[7-benzyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Catalog ID
STK543238
SMILES O=C(Nc1ccc(cc1)Br)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCN(C3)Cc1ccccc1
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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 C31H27BrN4O2S2 MW 631.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN4O2S2/c1-20-6-5-9-24(16-20)36-30(38)28-25-14-15-35(17-21-7-3-2-4-8-21)18-26(25)40-29(28)34-31(36)39-19-27(37)33-23-12-10-22(32)11-13-23/h2-13,16H,14-15,17-19H2,1H3,(H,33,37)InChIKey
VDULLLWYRRLBSE-UHFFFAOYSA-NSynonyms
2((7benzyl3(3methylphenyl)4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)sulfanyl)N(4bromophenyl)acetamide
2((7benzyl3(3methylphenyl)4oxo68dihydro5Hpyrido(23)thieno(24b)pyrimidin2yl)sulfanyl)N(4bromophenyl)acetamide
2((7benzyl4oxo3(mtolyl)345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)thio)N(4bromophenyl)acetamide
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)Br)SC5=C3CCN(C5)CC6=CC=CC=C6
InChI=1SC31H27BrN4O2S2c12065924(1620)3630(38)2825141535(17217324821)1826(25)4029(28)3431(36)391927(37)3323121022(32)111323h21316H14151719H21H3(H3337)
MFCD03291086
ZINC000150425265
ZINC150425265
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