Vitas-M small molecule compound
5-(4-chlorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK818917
SMILES Clc1ccc(cc1)C1N(c2nnc(s2)C)C(=O)C(=C1C(=O)/C=C/c1ccccc1)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 C22H16ClN3O3S MW 437.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O3S/c1-13-24-25-22(30-13)26-19(15-8-10-16(23)11-9-15)18(20(28)21(26)29)17(27)12-7-14-5-3-2-4-6-14/h2-12,19,28H,1H3/b12-7+InChIKey
QWEOCIHEKPOVNG-KPKJPENVSA-NSynonyms
2(4CHLOROPHENYL)4HYDROXY1(5METHYL134THIADIAZOL2YL)3((E)3PHENYLPROP2ENOYL)2HPYRROL5ONE
5(4chlorophenyl)3hydroxy1(5methyl134thiadiazol2yl)4((2E)3phenylprop2enoyl)15dihydro2Hpyrrol2one
CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C=CC3=CC=CC=C3)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)C1N(c2nnc(s2)C)C(=O)C(=C1C(=O)C=Cc1ccccc1)O
InChI=1SC22H16ClN3O3Sc113242522(3013)2619(1581016(23)11915)18(20(28)21(26)29)17(27)127145324614h2121928H1H3b127+
MFCD06311130
ZINC000016737074
ZINC000016737076
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