Vitas-M small molecule compound
3-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Catalog ID
STL431997
SMILES Clc1cccc(c1)N1NC(=O)/C(=C/c2cccc(c2)OC(=O)c2cccs2)/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 C21H13ClN2O4S MW 424.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN2O4S/c22-14-5-2-6-15(12-14)24-20(26)17(19(25)23-24)11-13-4-1-7-16(10-13)28-21(27)18-8-3-9-29-18/h1-12H,(H,23,25)/b17-11-InChIKey
RINZLJGIVFCGKP-BOPFTXTBSA-NSynonyms
(3((Z)(1(3CHLOROPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)PHENYL)THIOPHENE2CARBOXYLATE
3((Z)(1(3chlorophenyl)35dioxopyrazolidin4ylidene)methyl)phenylthiophene2carboxylate
C1=CC(=CC(=C1)OC(=O)C2=CC=CS2)C=C3C(=O)NN(C3=O)C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1NC(=O)C(=Cc2cccc(c2)OC(=O)c2cccs2)C1=O
InChI=1SC21H13ClN2O4Sc221452615(1214)2420(26)17(19(25)2324)111341716(1013)2821(27)188392918h112H(H2325)b1711
MFCD02628513
ZINC000001161417
ZINC01161417
ZINC1161417
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