Vitas-M small molecule compound
(2-{(Z)-[4-(ethoxycarbonyl)-5-[(4-ethoxyphenyl)amino]-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STL374734
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OCC)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 C24H23NO7S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO7S/c1-3-30-17-11-9-16(10-12-17)25-23-21(24(29)31-4-2)22(28)19(33-23)13-15-7-5-6-8-18(15)32-14-20(26)27/h5-13,25H,3-4,14H2,1-2H3,(H,26,27)/b19-13-InChIKey
BNRGYZKBNZTIQH-UYRXBGFRSA-NSynonyms
(2((5(4ETHOXYANILINO)4(ETHOXYCARBONYL)3OXO2(3H)THIENYLIDENE)METHYL)PHENOXY)ACETICACID
(2((Z)(4(ethoxycarbonyl)5((4ethoxyphenyl)amino)3oxothiophen2(3H)ylidene)methyl)phenoxy)aceticacid
2(2((Z)(5(4ETHOXYANILINO)4ETHOXYCARBONYL3OXOTHIOPHEN2YLIDENE)METHYL)PHENOXY)ACETICACID
CCOC(=O)C1=C(Nc2ccc(cc2)OCC)SC(=Cc2ccccc2OCC(=O)O)C1=O
CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC=CC=C3OCC(=O)O)S2)C(=O)OCC
InChI=1SC24H23NO7Sc13301711916(101217)252321(24(29)3142)22(28)19(3323)1315756818(15)321420(26)27h51325H3414H212H3(H2627)b1913
MFCD02787746
ZINC000002155380
ZINC2155380
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