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'-{(Z)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide
Catalog ID
STL307909
SMILES CSc1ccc(cc1)/C=N\NC(=O)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 C27H26N4O2S3 MW 534.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O2S3/c1-17-7-11-19(12-8-17)31-26(33)24-21-5-3-4-6-22(21)36-25(24)29-27(31)35-16-23(32)30-28-15-18-9-13-20(34-2)14-10-18/h7-15H,3-6,16H2,1-2H3,(H,30,32)/b28-15-InChIKey
YXYQAPXGIXDTDT-MBTHVWNTSA-NSynonyms
(E)N(4(methylthio)benzylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N((Z)(4(methylsulfanyl)phenyl)methylidene)acetohydrazide
2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N((Z)(4methylsulfanylphenyl)methylideneamino)acetamide
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC4=CC=C(C=C4)SC)SC5=C3CCCC5
CSc1ccc(cc1)C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
InChI=1SC27H26N4O2S3c11771119(12817)3126(33)2421534622(21)3625(24)2927(31)351623(32)3028151891320(342)141018h715H3616H212H3(H3032)b2815
MFCD03217737
ZINC000100852503
ZINC2224687
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