Vitas-M small molecule compound
methyl (2Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7(6H)-ylidene]ethanoate
Catalog ID
STK508563
SMILES COC(=O)/C=c/1\sc2=NCN(Cn2c1=O)Cc1ccc2c(c1)OCO2
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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 C16H15N3O5S MW 361.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5S/c1-22-14(20)5-13-15(21)19-8-18(7-17-16(19)25-13)6-10-2-3-11-12(4-10)24-9-23-11/h2-5H,6-9H2,1H3/b13-5-InChIKey
IVPKOSBWTIVOAN-ACAGNQJTSA-NSynonyms
810634-81-2(Z)methyl2(3(benzo(d)(13)dioxol5ylmethyl)6oxo34dihydro2Hthiazolo(32a)(135)triazin7(6H)ylidene)acetate
810634812
COC(=O)C=C1C(=O)N2CN(CN=C2S1)CC3=CC4=C(C=C3)OCO4
COC(=O)C=c1sc2=NCN(Cn2c1=O)Cc1ccc2c(c1)OCO2
InChI=1SC16H15N3O5Sc12214(20)51315(21)19818(71716(19)2513)610231112(410)2492311h25H69H21H3b135
methyl(2Z)(3(13benzodioxol5ylmethyl)6oxo34dihydro2H(13)thiazolo(32a)(135)triazin7(6H)ylidene)ethanoate
METHYL(2Z)2(3(13BENZODIOXOL5YLMETHYL)6OXO24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN7YLIDENE)ACETATE
MFCD05839549
ZINC000013816252
ZINC13816252
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