Vitas-M small molecule compound
ethyl {[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STK836376
SMILES CCOC(=O)CSc1nnc(n1CC=C)c1ccc(cc1)[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 C15H16N4O4S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O4S/c1-3-9-18-14(11-5-7-12(8-6-11)19(21)22)16-17-15(18)24-10-13(20)23-4-2/h3,5-8H,1,4,9-10H2,2H3InChIKey
OELUWCNENVJYDI-UHFFFAOYSA-NSynonyms
324057-24-1324057241
CCOC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)(N+)(=O)(O)
CCOC(=O)CSc1nnc(n1CC=C)c1ccc(cc1)(N+)(=O)(O)
ethyl((5(4nitrophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetate
ETHYL2((4ALLYL5(4NITROPHENYL)4H124TRIAZOL3YL)THIO)ACETATE
ETHYL2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETATE
ETHYL2(5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETATE
InChI=1SC15H16N4O4Sc1391814(115712(8611)19(21)22)161715(18)241013(20)2342h358H14910H22H3
MFCD01793615
ZINC000000189719
ZINC00189719
ZINC189719
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