Vitas-M small molecule compound
N'-[(1E)-1-(3-methoxyphenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide
Catalog ID
STL337590
SMILES COc1cccc(c1)/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)/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 C28H28N4O3S2 MW 532.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3S2/c1-17-11-13-20(14-12-17)32-27(34)25-22-9-4-5-10-23(22)37-26(25)29-28(32)36-16-24(33)31-30-18(2)19-7-6-8-21(15-19)35-3/h6-8,11-15H,4-5,9-10,16H2,1-3H3,(H,31,33)/b30-18+InChIKey
YJWNIHAEEUXQKJ-UXHLAJHPSA-NSynonyms
613231-82-6(E)N(1(3methoxyphenyl)ethylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
613231826
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=C(C)C4=CC(=CC=C4)OC)SC5=C3CCCC5
COc1cccc(c1)C(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)C
InChI=1SC28H28N4O3S2c117111320(141217)3227(34)25229451023(22)3726(25)2928(32)361624(33)313018(2)1976821(1519)353h681115H4591016H213H3(H3133)b3018+
MFCD03217684
N((1E)1(3methoxyphenyl)ethylidene)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((E)1(3methoxyphenyl)ethylideneamino)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000100858852
ZINC101420655
Check stock
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Check stock on Vitas-MAvailable files
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