Vitas-M small molecule compound
4-[(Z)-(6-benzyl-5-methyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-bromo-6-methoxyphenyl acetate
Catalog ID
STK905163
SMILES COc1cc(cc(c1OC(=O)C)Br)/C=c/1\sc2n(c1=O)c(C)c(c(=O)n2)Cc1ccccc1
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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 C24H19BrN2O5S MW 527.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19BrN2O5S/c1-13-17(9-15-7-5-4-6-8-15)22(29)26-24-27(13)23(30)20(33-24)12-16-10-18(25)21(32-14(2)28)19(11-16)31-3/h4-8,10-12H,9H2,1-3H3/b20-12-InChIKey
HOYHVFFKAZELOL-NDENLUEZSA-NSynonyms
(4((Z)(6benzyl5methyl37dioxo(13)thiazolo(32a)pyrimidin2ylidene)methyl)2bromo6methoxyphenyl)acetate
4((Z)(6benzyl5methyl37dioxo7H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)2bromo6methoxyphenylacetate
CC1=C(C(=O)N=C2N1C(=O)C(=CC3=CC(=C(C(=C3)Br)OC(=O)C)OC)S2)CC4=CC=CC=C4
COc1cc(cc(c1OC(=O)C)Br)C=c1sc2n(c1=O)c(C)c(c(=O)n2)Cc1ccccc1
InChI=1SC24H19BrN2O5Sc11317(9157546815)22(29)262427(13)23(30)20(3324)12161018(25)21(3214(2)28)19(1116)313h481012H9H213H3b2012
MFCD18076285
ZINC000097947400
ZINC97947400
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