Vitas-M small molecule compound
3-{(Z)-[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Catalog ID
STL432510
SMILES O=C(c1cccs1)Oc1cccc(c1)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)Cl)C
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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 C22H15ClN2O4S MW 438.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O4S/c1-13-7-8-15(12-18(13)23)25-21(27)17(20(26)24-25)11-14-4-2-5-16(10-14)29-22(28)19-6-3-9-30-19/h2-12H,1H3,(H,24,26)/b17-11-InChIKey
VSDOZRVVYWGAPM-BOPFTXTBSA-NSynonyms
(3((Z)(1(3CHLORO4METHYLPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)PHENYL)THIOPHENE2CARBOXYLATE
3((Z)(1(3chloro4methylphenyl)35dioxopyrazolidin4ylidene)methyl)phenylthiophene2carboxylate
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)OC(=O)C4=CC=CS4)C(=O)N2)Cl
InChI=1SC22H15ClN2O4Sc1137815(1218(13)23)2521(27)17(20(26)2425)111442516(1014)2922(28)196393019h212H1H3(H2426)b1711
MFCD03016702
O=C(c1cccs1)Oc1cccc(c1)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)C
ZINC000006859703
ZINC06859703
ZINC6859703
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