Vitas-M small molecule compound
(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK537721
SMILES N#C/C(=C\Nc1ccc2c(c1)OCCO2)/c1scc(n1)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 C20H14N4O4S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O4S/c21-10-14(11-22-15-3-6-18-19(9-15)28-8-7-27-18)20-23-17(12-29-20)13-1-4-16(5-2-13)24(25)26/h1-6,9,11-12,22H,7-8H2/b14-11+InChIKey
XQOLTZFDTWZMGF-SDNWHVSQSA-NSynonyms
(2E)3(23dihydro14benzodioxin6ylamino)2(4(4nitrophenyl)13thiazol2yl)prop2enenitrile
(E)3((23dihydrobenzo(b)(14)dioxin6yl)amino)2(4(4nitrophenyl)thiazol2yl)acrylonitrile
(E)3(23DIHYDRO14BENZODIOXIN6YLAMINO)2(4(4NITROPHENYL)13THIAZOL2YL)PROP2ENENITRILE
C1COC2=C(O1)C=CC(=C2)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H14N4O4Sc211014(112215361819(915)28872718)202317(122920)131416(5213)24(25)26h169111222H78H2b1411+
MFCD02983983
N#CC(=CNc1ccc2c(c1)OCCO2)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000001297165
ZINC01297165
ZINC1297165
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