Vitas-M small molecule compound
ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374725
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OCC)S/C(=C\c2ccc(c(c2)OC)OCC#C)/C1=O
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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 C26H25NO6S MW 479.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO6S/c1-5-14-33-20-13-8-17(15-21(20)30-4)16-22-24(28)23(26(29)32-7-3)25(34-22)27-18-9-11-19(12-10-18)31-6-2/h1,8-13,15-16,27H,6-7,14H2,2-4H3/b22-16-InChIKey
IODSEAMGMBLNMQ-JWGURIENSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OCC)SC(=Cc2ccc(c(c2)OC)OCC#C)C1=O
CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OC)S2)C(=O)OCC
ethyl(5Z)2((4ethoxyphenyl)amino)5(3methoxy4(prop2yn1yloxy)benzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2(4ETHOXYANILINO)5((3METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2(4ETHOXYANILINO)5(3METHOXY4(2PROPYNYLOXY)BENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC26H25NO6Sc1514332013817(1521(20)304)162224(28)23(26(29)3273)25(3422)271891119(121018)3162h1813151627H6714H224H3b2216
MFCD02787346
ZINC000008438408
ZINC08438408
ZINC8438408
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