Vitas-M small molecule compound
4-[(Z)-(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]-2-methoxyphenyl acetate
Catalog ID
STK814540
SMILES COc1cc(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 C22H17N3O5S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S/c1-13(26)30-17-9-8-15(11-18(17)29-2)12-19-21(28)25-22(31-19)23-20(27)16(24-25)10-14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3/b19-12-InChIKey
JHIFOZNYHDCCFQ-UNOMPAQXSA-NSynonyms
(4((Z)(6benzyl37dioxo(13)thiazolo(32b)(124)triazin2ylidene)methyl)2methoxyphenyl)acetate
4((Z)(6benzyl37dioxo7H(13)thiazolo(32b)(124)triazin2(3H)ylidene)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4)S2)OC
COc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1
InChI=1SC22H17N3O5Sc113(26)30179815(1118(17)292)121921(28)2522(3119)2320(27)16(2425)10146435714h391112H10H212H3b1912
MFCD01573473
ZINC000000944777
ZINC00944777
ZINC944777
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