Vitas-M small molecule compound
N-(4-bromophenyl)-2-{[4-(4-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Catalog ID
STK720498
SMILES O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(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 C26H22BrN5O2S2 MW 580.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN5O2S2/c1-15-6-12-18(13-7-15)31-23(34)22-19-4-2-3-5-20(19)36-24(22)32-25(31)29-30-26(32)35-14-21(33)28-17-10-8-16(27)9-11-17/h6-13H,2-5,14H2,1H3,(H,28,33)InChIKey
XHMUJMKRLRHWTL-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)NC5=CC=C(C=C5)Br)SC6=C3CCCC6
InChI=1SC26H22BrN5O2S2c11561218(13715)3123(34)2219423520(19)3624(22)3225(31)293026(32)351421(33)281710816(27)91117h613H2514H21H3(H2833)
MFCD03676730
N(4bromophenyl)2((4(4methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(4bromophenyl)2((5oxo4(ptolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000001899673
ZINC01899673
ZINC1899673
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