Vitas-M small molecule compound
3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Catalog ID
STK799809
SMILES COc1c(OC)cc(cc1OC)c1nc2n(n1)c(=O)/c(=C/c1cccc(c1)OC(=O)C)/s2
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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 C22H19N3O6S MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O6S/c1-12(26)31-15-7-5-6-13(8-15)9-18-21(27)25-22(32-18)23-20(24-25)14-10-16(28-2)19(30-4)17(11-14)29-3/h5-11H,1-4H3/b18-9-InChIKey
TYCAVKHVFFRLOW-NVMNQCDNSA-NSynonyms
577982-90-2(3((Z)(6OXO2(345TRIMETHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)PHENYL)ACETATE
(Z)3((6oxo2(345trimethoxyphenyl)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
3((Z)(6oxo2(345trimethoxyphenyl)(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
577982902
CC(=O)OC1=CC=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)S2
COc1c(OC)cc(cc1OC)c1nc2n(n1)c(=O)c(=Cc1cccc(c1)OC(=O)C)s2
InChI=1SC22H19N3O6Sc112(26)311575613(815)91821(27)2522(3218)2320(2425)141016(282)19(304)17(1114)293h511H14H3b189
MFCD03500465
ZINC000002336002
ZINC02336002
ZINC2336002
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