Vitas-M small molecule compound

4-[(E)-(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-2-ethoxyphenyl acetate

Catalog ID
STK876895
SMILES CCOc1cc(ccc1OC(=O)C)/C=c\1/sc2n(c1=O)nc(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 C23H19N3O5S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S/c1-3-30-19-12-16(9-10-18(19)31-14(2)27)13-20-22(29)26-23(32-20)24-21(28)17(25-26)11-15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3/b20-13+
InChIKey
RDOHOVMROYGJDE-DEDYPNTBSA-N
Synonyms
487019-56-7
(4((E)(6BENZYL37DIOXO(13)THIAZOLO(32B)(124)TRIAZIN2YLIDENE)METHYL)2ETHOXYPHENYL)ACETATE
(E)4((6benzyl37dioxo37dihydro2Hthiazolo(32b)(124)triazin2ylidene)methyl)2ethoxyphenylacetate
4((37DIOXO6BENZYL(13THIAZOLIDINO(32B)124TRIAZIN2YLIDENE))METHYL)2ETHOXYPHENYLACETATE
4((6BENZYL37DIOXO7H(13)THIAZOLO(32B)(124)TRIAZIN2(3H)YLIDENE)METHYL)2ETHOXYPHENYLACETATE
4((E)(6benzyl37dioxo7H(13)thiazolo(32b)(124)triazin2(3H)ylidene)methyl)2ethoxyphenylacetate
487019567
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1
InChI=1SC23H19N3O5Sc1330191216(91018(19)3114(2)27)132022(29)2623(3220)2421(28)17(2526)11157546815h4101213H311H212H3b2013+
MFCD03268916
ZINC000000724096
ZINC00724096
ZINC724096

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Available files

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