Vitas-M small molecule compound
ethyl (5Z)-5-[4-methoxy-2-methyl-5-(propan-2-yl)benzylidene]-2-{[(4-methoxyphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL380534
SMILES CCOC(=O)C1=C(S/C(=C\c2cc(C(C)C)c(cc2C)OC)/C1=O)NC(=O)c1ccc(cc1)OC
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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 C27H29NO6S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6S/c1-7-34-27(31)23-24(29)22(14-18-13-20(15(2)3)21(33-6)12-16(18)4)35-26(23)28-25(30)17-8-10-19(32-5)11-9-17/h8-15H,7H2,1-6H3,(H,28,30)/b22-14-InChIKey
QYVSENTZUVXKIS-HMAPJEAMSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2C)OC)C(C)C)C1=O)NC(=O)C3=CC=C(C=C3)OC
CCOC(=O)C1=C(SC(=Cc2cc(C(C)C)c(cc2C)OC)C1=O)NC(=O)c1ccc(cc1)OC
ETHYL(5Z)2((4METHOXYBENZOYL)AMINO)5((4METHOXY2METHYL5PROPAN2YLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4methoxy2methyl5(propan2yl)benzylidene)2(((4methoxyphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
InChI=1SC27H29NO6Sc173427(31)2324(29)22(14181320(15(2)3)21(336)1216(18)4)3526(23)2825(30)1781019(325)11917h815H7H216H3(H2830)b2214
MFCD03722124
ZINC000006489635
ZINC06489635
ZINC6489635
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