Vitas-M small molecule compound
methyl 4-{(Z)-[2-({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STL307907
SMILES COC(=O)c1ccc(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 C28H26N4O4S2 MW 546.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S2/c1-17-7-13-20(14-8-17)32-26(34)24-21-5-3-4-6-22(21)38-25(24)30-28(32)37-16-23(33)31-29-15-18-9-11-19(12-10-18)27(35)36-2/h7-15H,3-6,16H2,1-2H3,(H,31,33)/b29-15-InChIKey
ZPJHXKZSLOMTPV-FDVSRXAVSA-NSynonyms
(E)methyl4((2(2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetyl)hydrazono)methyl)benzoate
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC4=CC=C(C=C4)C(=O)OC)SC5=C3CCCC5
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
InChI=1SC28H26N4O4S2c11771320(14817)3226(34)2421534622(21)3825(24)3028(32)371623(33)3129151891119(121018)27(35)362h715H3616H212H3(H3133)b2915
methyl4((Z)((2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
methyl4((Z)(2(((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
MFCD03217746
ZINC000100852487
ZINC2212442
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.