Vitas-M small molecule compound
4-{(Z)-[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2,6-dimethylphenyl acetate
Catalog ID
STK815328
SMILES CC(=O)Oc1c(C)cc(cc1C)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)Br
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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 C21H16BrN3O3S MW 470.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O3S/c1-11-8-14(9-12(2)18(11)28-13(3)26)10-17-20(27)25-21(29-17)23-19(24-25)15-4-6-16(22)7-5-15/h4-10H,1-3H3/b17-10-InChIKey
ZMTJBJPRZZKNFI-YVLHZVERSA-NSynonyms
(4((Z)(2(4BROMOPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)26DIMETHYLPHENYL)ACETATE
4((Z)(2(4bromophenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)26dimethylphenylacetate
CC(=O)Oc1c(C)cc(cc1C)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Br
CC1=CC(=CC(=C1OC(=O)C)C)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2
InChI=1SC21H16BrN3O3Sc111814(912(2)18(11)2813(3)26)101720(27)2521(2917)2319(2425)154616(22)7515h410H13H3b1710
MFCD03533445
ZINC000002508909
ZINC02508909
ZINC2508909
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