Vitas-M small molecule compound
3-{(Z)-[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Catalog ID
STK008207
SMILES Brc1ccc(cc1)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 C21H13BrN2O4S MW 469.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrN2O4S/c22-14-6-8-15(9-7-14)24-20(26)17(19(25)23-24)12-13-3-1-4-16(11-13)28-21(27)18-5-2-10-29-18/h1-12H,(H,23,25)/b17-12-InChIKey
AXQKUDMDHTZCOL-ATVHPVEESA-NSynonyms
(3((Z)(1(4BROMOPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)PHENYL)THIOPHENE2CARBOXYLATE
3((Z)(1(4BROMOPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)PHENYLTHIOPHENE2CARBOXYLATE
Brc1ccc(cc1)N1NC(=O)C(=Cc2cccc(c2)OC(=O)c2cccs2)C1=O
C1=CC(=CC(=C1)OC(=O)C2=CC=CS2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)Br
InChI=1SC21H13BrN2O4Sc22146815(9714)2420(26)17(19(25)2324)121331416(1113)2821(27)1852102918h112H(H2325)b1712
MFCD03142437
STK008207
ZINC01167878
ZINC1167878
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