Vitas-M small molecule compound
(2E)-2-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Catalog ID
STK794316
SMILES C=CCNC(=S)N/N=C/c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OCC)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 C22H22N6O3S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3S/c1-3-12-23-22(32)25-24-14-17-15-27(18-8-6-5-7-9-18)26-21(17)16-10-11-20(31-4-2)19(13-16)28(29)30/h3,5-11,13-15H,1,4,12H2,2H3,(H2,23,25,32)/b24-14+InChIKey
PHIYLWBTGAMCFQ-ZVHZXABRSA-NSynonyms
384369-59-9(((1E)2(3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)1AZAVINYL)AMINO)(PROP2ENYLAMINO)METHANE1THIONE
(2E)2((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)N(prop2en1yl)hydrazinecarbothioamide
(E)Nallyl2((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylene)hydrazinecarbothioamide
1((E)(3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENEAMINO)3PROP2ENYLTHIOUREA
384369599
C=CCNC(=S)NN=Cc1cn(nc1c1ccc(c(c1)(N+)(=O)(O))OCC)c1ccccc1
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=NNC(=S)NCC=C)C3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC22H22N6O3Sc13122322(32)252414171527(188657918)2621(17)16101120(3142)19(1316)28(29)30h35111315H1412H22H3(H2232532)b2414+
MFCD03284802
ZINC000002319264
ZINC33360421
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