Vitas-M small molecule compound
3-[(Z)-{2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]phenyl acetate
Catalog ID
STK906825
SMILES COc1ccc(cc1)/C=C/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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c1-14(26)29-18-5-3-4-16(12-18)13-19-21(27)25-22(30-19)23-20(24-25)11-8-15-6-9-17(28-2)10-7-15/h3-13H,1-2H3/b11-8+,19-13-InChIKey
IMIAIFBKNQEICI-SSZQZOOLSA-NSynonyms
843630-41-1(3((Z)(2((E)2(4METHOXYPHENYL)ETHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)PHENYL)ACETATE
3((Z)(2((E)2(4methoxyphenyl)ethenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
3((Z)(2((E)4methoxystyryl)6oxothiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
843630411
CC(=O)OC1=CC=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)OC)S2
COc1ccc(cc1)C=Cc1nc2n(n1)c(=O)c(=Cc1cccc(c1)OC(=O)C)s2
InChI=1SC22H17N3O4Sc114(26)291853416(1218)131921(27)2522(3019)2320(2425)118156917(282)10715h313H12H3b118+1913
MFCD04154517
ZINC000009191681
ZINC09191681
ZINC9191681
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