Vitas-M small molecule compound
(4Z)-4-{2-[4-chloro-2-(phenylcarbonyl)phenyl]hydrazinylidene}-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK058424
SMILES Clc1ccc(c(c1)C(=O)c1ccccc1)N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])c1scc(n1)c1ccccc1
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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 C31H19ClN6O4S MW 607.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H19ClN6O4S/c32-22-13-16-25(24(17-22)29(39)21-9-5-2-6-10-21)34-35-28-27(20-11-14-23(15-12-20)38(41)42)36-37(30(28)40)31-33-26(18-43-31)19-7-3-1-4-8-19/h1-18,34H/b35-28-InChIKey
XIMDCPWMQSQGPT-NUDFZHEQSA-NSynonyms
(4Z)4((2BENZOYL4CHLOROPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)2(4PHENYL13THIAZOL2YL)PYRAZOL3ONE
(4Z)4(2(4CHLORO2(PHENYLCARBONYL)PHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)2(4PHENYL13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5)C(=N3)C6=CC=C(C=C6)(N+)(=O)(O)
Clc1ccc(c(c1)C(=O)c1ccccc1)NN=C1C(=O)N(N=C1c1ccc(cc1)(N+)(=O)(O))c1scc(n1)c1ccccc1
InChI=1SC31H19ClN6O4Sc3222131625(24(1722)29(39)2195261021)34352827(20111423(151220)38(41)42)3637(30(28)40)313326(184331)197314819h11834Hb3528
MFCD01418518
STK058424
ZINC000097940264
ZINC101453101
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