Vitas-M small molecule compound
(2-{(Z)-[4-(ethoxycarbonyl)-5-[(4-ethylphenyl)amino]-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK078279
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2ccccc2OCC(=O)O)/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 C24H23NO6S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO6S/c1-3-15-9-11-17(12-10-15)25-23-21(24(29)30-4-2)22(28)19(32-23)13-16-7-5-6-8-18(16)31-14-20(26)27/h5-13,25H,3-4,14H2,1-2H3,(H,26,27)/b19-13-InChIKey
BGMHGGKWVFWUBH-UYRXBGFRSA-NSynonyms
(2((Z)(4(ETHOXYCARBONYL)5((4ETHYLPHENYL)AMINO)3OXOTHIOPHEN2(3H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(2((Z)(4ETHOXYCARBONYL5(4ETHYLANILINO)3OXOTHIOPHEN2YLIDENE)METHYL)PHENOXY)ACETICACID
CCC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC=CC=C3OCC(=O)O)S2)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)CC)SC(=Cc2ccccc2OCC(=O)O)C1=O
InChI=1SC24H23NO6Sc131591117(121015)252321(24(29)3042)22(28)19(3223)1316756818(16)311420(26)27h51325H3414H212H3(H2627)b1913
MFCD02636614
STK078279
ZINC000002155206
ZINC2155206
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