Vitas-M small molecule compound
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}-N,N-diphenylacetamide
Catalog ID
STK720506
SMILES Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)N(c1ccccc1)c1ccccc1
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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 C32H27N5O2S2 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O2S2/c1-21-16-18-24(19-17-21)36-29(39)28-25-14-8-9-15-26(25)41-30(28)37-31(36)33-34-32(37)40-20-27(38)35(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,16-19H,8-9,14-15,20H2,1H3InChIKey
KFCGHLOEBVFJLL-UHFFFAOYSA-NSynonyms
2((4(4methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)NNdiphenylacetamide
2((5oxo4(ptolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)NNdiphenylacetamide
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)SC7=C3CCCC7
InChI=1SC32H27N5O2S2c121161824(191721)3629(39)282514891526(25)4130(28)3731(36)333432(37)402027(38)35(22104251122)23126371323h2710131619H89141520H21H3
MFCD03673158
ZINC000001872910
ZINC01872910
ZINC1872910
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