Vitas-M small molecule compound
4-[(4-{(Z)-[4-(ethoxycarbonyl)-3-oxo-5-(phenylamino)thiophen-2(3H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL378682
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(cc2)OCc2ccc(cc2)C(=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 C28H23NO6S MW 501.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23NO6S/c1-2-34-28(33)24-25(30)23(36-26(24)29-21-6-4-3-5-7-21)16-18-10-14-22(15-11-18)35-17-19-8-12-20(13-9-19)27(31)32/h3-16,29H,2,17H2,1H3,(H,31,32)/b23-16-InChIKey
JUCNOWPCQDQGNN-KQWNVCNZSA-NSynonyms
4((4((Z)(4(ethoxycarbonyl)3oxo5(phenylamino)thiophen2(3H)ylidene)methyl)phenoxy)methyl)benzoicacid
4((4((Z)(5ANILINO4ETHOXYCARBONYL3OXOTHIOPHEN2YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(cc2)OCc2ccc(cc2)C(=O)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C1=O)NC4=CC=CC=C4
InChI=1SC28H23NO6Sc123428(33)2425(30)23(3626(24)29216435721)1618101422(151118)35171981220(13919)27(31)32h31629H217H21H3(H3132)b2316
MFCD05041285
ZINC000009295957
ZINC9295957
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