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'-[(1E)-1-(naphthalen-2-yl)ethylidene]acetohydrazide
Catalog ID
STL036339
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)N/N=C(/c1ccc2c(c1)cccc2)\C
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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 C31H28N4O2S2 MW 552.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O2S2/c1-19-11-15-24(16-12-19)35-30(37)28-25-9-5-6-10-26(25)39-29(28)32-31(35)38-18-27(36)34-33-20(2)22-14-13-21-7-3-4-8-23(21)17-22/h3-4,7-8,11-17H,5-6,9-10,18H2,1-2H3,(H,34,36)/b33-20+InChIKey
XXMBQSVPFNTZAN-FMFFXOCNSA-NSynonyms
(E)N(1(naphthalen2yl)ethylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N((1E)1(naphthalen2yl)ethylidene)acetohydrazide
2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N((E)1naphthalen2ylethylideneamino)acetamide
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=C(C)C4=CC5=CC=CC=C5C=C4)SC6=C3CCCC6
InChI=1SC31H28N4O2S2c119111524(161219)3530(37)28259561026(25)3929(28)3231(35)381827(36)343320(2)22141321734823(21)1722h34781117H5691018H212H3(H3436)b3320+
MFCD03217680
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)NN=C(c1ccc2c(c1)cccc2)C
ZINC000100852543
ZINC102947582
Check stock
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Check stock on Vitas-MAvailable files
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