Vitas-M small molecule compound
(7Z)-3-(1,3-benzodioxol-5-yl)-7-(3-methoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK859935
SMILES COc1cccc(c1)/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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c1-25-15-4-2-3-13(7-15)8-18-19(24)23-11-22(10-21-20(23)28-18)14-5-6-16-17(9-14)27-12-26-16/h2-9H,10-12H2,1H3/b18-8-InChIKey
PHDVDFFHBDUVGP-LSCVHKIXSA-NSynonyms
487039-28-1(7Z)3(13BENZODIOXOL5YL)7((3METHOXYPHENYL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)3(13benzodioxol5yl)7(3methoxybenzylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)3(benzo(d)(13)dioxol5yl)7(3methoxybenzylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
487039281
COC1=CC=CC(=C1)C=C2C(=O)N3CN(CN=C3S2)C4=CC5=C(C=C4)OCO5
COc1cccc(c1)C=c1sc2=NCN(Cn2c1=O)c1ccc2c(c1)OCO2
InChI=1SC20H17N3O4Sc1251542313(715)81819(24)231122(102120(23)2818)14561617(914)27122616h29H1012H21H3b188
MFCD03287567
ZINC000013563009
ZINC13563009
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