Vitas-M small molecule compound
(2E)-2-{2-[2-(3-methylphenoxy)ethoxy]-5-nitrobenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Catalog ID
STK050187
SMILES C=CCNC(=S)N/N=C/c1cc(ccc1OCCOc1cccc(c1)C)[N+](=O)[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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-3-9-21-20(29)23-22-14-16-13-17(24(25)26)7-8-19(16)28-11-10-27-18-6-4-5-15(2)12-18/h3-8,12-14H,1,9-11H2,2H3,(H2,21,23,29)/b22-14+InChIKey
VUAZDWNEHYCKGG-HYARGMPZSA-NSynonyms
(((1E)2(2(2(3METHYLPHENOXY)ETHOXY)5NITROPHENYL)1AZAVINYL)AMINO)(PROP2ENYLAMINO)METHANE1THIONE
(2E)2(2(2(3METHYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)N(PROP2EN1YL)HYDRAZINECARBOTHIOAMIDE
1((E)(2(2(3methylphenoxy)ethoxy)5nitrophenyl)methylideneamino)3prop2enylthiourea
C=CCNC(=S)NN=Cc1cc(ccc1OCCOc1cccc(c1)C)(N+)(=O)(O)
CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=NNC(=S)NCC=C
InChI=1SC20H22N4O4Sc1392120(29)232214161317(24(25)26)7819(16)281110271864515(2)1218h381214H1911H22H3(H2212329)b2214+
MFCD02126880
STK050187
ZINC000004512486
ZINC35212490
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