Vitas-M small molecule compound
(2E)-2-cyano-3-(4-{[5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)prop-2-enamide
Catalog ID
STL505151
SMILES N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])Sc1nnc([nH]1)c1ccc(cc1Cl)Cl)/C(=O)N
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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 C18H10Cl2N6O3S MW 461.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10Cl2N6O3S/c19-11-2-3-12(13(20)7-11)17-23-18(25-24-17)30-15-4-1-9(6-14(15)26(28)29)5-10(8-21)16(22)27/h1-7H,(H2,22,27)(H,23,24,25)/b10-5+InChIKey
GOJWXZNRYBTQKD-BJMVGYQFSA-NSynonyms
(~(E))2cyano3(4((5(24dichlorophenyl)1~(H)124triazol3yl)sulfanyl)3nitrophenyl)prop2enamide
(2E)2cyano3(4((5(24dichlorophenyl)4H124triazol3yl)sulfanyl)3nitrophenyl)prop2enamide
126197634
InChI=1SC18H10Cl2N6O3Sc19112312(13(20)711)172318(252417)3015419(614(15)26(28)29)510(821)16(22)27h17H(H22227)(H232425)b105+
MFCD31537894
ZINC000409191403
ZINC409191403
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