Vitas-M small molecule compound
(7Z)-3-(1,3-benzodioxol-5-yl)-7-(4-ethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK859772
SMILES CCOc1ccc(cc1)/C=c/1\sc2=NCN(Cn2c1=O)c1ccc2c(c1)OCO2
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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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-2-26-16-6-3-14(4-7-16)9-19-20(25)24-12-23(11-22-21(24)29-19)15-5-8-17-18(10-15)28-13-27-17/h3-10H,2,11-13H2,1H3/b19-9-InChIKey
SHPBXAKXZUFQKP-OCKHKDLRSA-NSynonyms
(7Z)3(13BENZODIOXOL5YL)7((4ETHOXYPHENYL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)3(13benzodioxol5yl)7(4ethoxybenzylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)3(benzo(d)(13)dioxol5yl)7(4ethoxybenzylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
CCOC1=CC=C(C=C1)C=C2C(=O)N3CN(CN=C3S2)C4=CC5=C(C=C4)OCO5
CCOc1ccc(cc1)C=c1sc2=NCN(Cn2c1=O)c1ccc2c(c1)OCO2
InChI=1SC21H19N3O4Sc1226166314(4716)91920(25)241223(112221(24)2919)15581718(1015)28132717h310H21113H21H3b199
MFCD02998143
ZINC000013810430
ZINC13810430
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