Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(4-methoxy-2-nitrophenyl)amino]prop-2-enenitrile
Catalog ID
STK536912
SMILES COc1ccc(c(c1)[N+](=O)[O-])N/C=C(/c1scc(n1)c1ccc2c(c1)OCO2)\C#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 C20H14N4O5S MW 422.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O5S/c1-27-14-3-4-15(17(7-14)24(25)26)22-9-13(8-21)20-23-16(10-30-20)12-2-5-18-19(6-12)29-11-28-18/h2-7,9-10,22H,11H2,1H3/b13-9+InChIKey
UXHUYUXEVVOALE-UKTHLTGXSA-NSynonyms
(2E)2(4(13benzodioxol5yl)13thiazol2yl)3((4methoxy2nitrophenyl)amino)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(4METHOXY2NITROANILINO)PROP2ENENITRILE
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3((4methoxy2nitrophenyl)amino)acrylonitrile
COC1=CC(=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC=C(c1scc(n1)c1ccc2c(c1)OCO2)C#N
InChI=1SC20H14N4O5Sc127143415(17(714)24(25)26)22913(821)202316(103020)12251819(612)29112818h2791022H11H21H3b139+
MFCD02984511
ZINC000009065431
ZINC09065431
ZINC9065431
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