Vitas-M small molecule compound
4-{(Z)-[2-(4-tert-butylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate
Catalog ID
STK815851
SMILES COc1cc(ccc1OC(=O)C)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C
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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 C24H23N3O4S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O4S/c1-14(28)31-18-11-6-15(12-19(18)30-5)13-20-22(29)27-23(32-20)25-21(26-27)16-7-9-17(10-8-16)24(2,3)4/h6-13H,1-5H3/b20-13-InChIKey
GQOFLBUFAMMNMR-MOSHPQCFSA-NSynonyms
(4((Z)(2(4TERTBUTYLPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)2METHOXYPHENYL)ACETATE
4((Z)(2(4tertbutylphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C(C)(C)C)S2)OC
COc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C
InChI=1SC24H23N3O4Sc114(28)311811615(1219(18)305)132022(29)2723(3220)2521(2627)167917(10816)24(23)4h613H15H3b2013
MFCD03532981
ZINC000016732852
ZINC16732852
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