Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-[3-(methylsulfanyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-yl]prop-2-enamide
Catalog ID
STL278164
SMILES CSc1nnc(n1NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccncc1
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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 C18H15N5O3S MW 381.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O3S/c1-27-18-21-20-17(13-6-8-19-9-7-13)23(18)22-16(24)5-3-12-2-4-14-15(10-12)26-11-25-14/h2-10H,11H2,1H3,(H,22,24)/b5-3+InChIKey
CJJOLEYNZFTOQC-HWKANZROSA-NSynonyms
(2E)3(13benzodioxol5yl)N(3(methylsulfanyl)5(pyridin4yl)4H124triazol4yl)prop2enamide
(E)3(13benzodioxol5yl)N(3methylsulfanyl5pyridin4yl124triazol4yl)prop2enamide
CSC1=NN=C(N1NC(=O)C=CC2=CC3=C(C=C2)OCO3)C4=CC=NC=C4
CSc1nnc(n1NC(=O)C=Cc1ccc2c(c1)OCO2)c1ccncc1
InChI=1SC18H15N5O3Sc12718212017(1368199713)23(18)2216(24)5312241415(1012)26112514h210H11H21H3(H2224)b53+
MFCD20263570
ZINC000032616588
ZINC32616588
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