Vitas-M small molecule compound
N-benzyl-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STL336929
SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])C(=S)NCc1ccccc1
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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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c1-31-21-12-10-18(11-13-21)22-15-23(19-8-5-9-20(14-19)28(29)30)27(26-22)24(32)25-16-17-6-3-2-4-7-17/h2-14,23H,15-16H2,1H3,(H,25,32)InChIKey
KMABNLRGQPGUPR-UHFFFAOYSA-NSynonyms
394230-77-4394230774
COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)(N+)(=O)(O))C(=S)NCC4=CC=CC=C4
COc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)(N+)(=O)(O))C(=S)NCc1ccccc1
InChI=1SC24H22N4O3Sc13121121018(111321)221523(1985920(1419)28(29)30)27(2622)24(32)2516176324717h21423H1516H21H3(H2532)
MFCD03669700
Nbenzyl3(4methoxyphenyl)5(3nitrophenyl)45dihydro1Hpyrazole1carbothioamide
NBENZYL5(4METHOXYPHENYL)3(3NITROPHENYL)34DIHYDROPYRAZOLE2CARBOTHIOAMIDE
ZINC000009058837
ZINC000011852386
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