Vitas-M small molecule compound
(2E)-2-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Catalog ID
STK132766
SMILES C=CCNC(=S)N/N=C/c1ccc(c(c1)OC)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C19H17F3N4O4S MW 454.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N4O4S/c1-3-8-23-18(31)25-24-11-12-4-6-16(17(9-12)29-2)30-15-7-5-13(19(20,21)22)10-14(15)26(27)28/h3-7,9-11H,1,8H2,2H3,(H2,23,25,31)/b24-11+InChIKey
TZPHVWJWTBWTRC-BHGWPJFGSA-NSynonyms
(2E)2(3METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)N(PROP2EN1YL)HYDRAZINECARBOTHIOAMIDE
1((E)(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)methylideneamino)3prop2enylthiourea
C=CCNC(=S)NN=Cc1ccc(c(c1)OC)Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F
COC1=C(C=CC(=C1)C=NNC(=S)NCC=C)OC2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O)
InChI=1SC19H17F3N4O4Sc1382318(31)252411124616(17(912)292)30157513(19(2021)22)1014(15)26(27)28h37911H18H22H3(H2232531)b2411+
MFCD05825104
ZINC000009850470
ZINC34860928
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