Vitas-M small molecule compound
3-{(Z)-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Catalog ID
STK823666
SMILES CC(=O)Oc1cccc(c1)/C=c/1\sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
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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 C21H15N3O5S MW 421.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O5S/c1-12(25)28-14-6-4-5-13(9-14)10-18-20(26)24-21(30-18)22-19(23-24)17-11-27-15-7-2-3-8-16(15)29-17/h2-10,17H,11H2,1H3/b18-10-InChIKey
IQNCEHRGJUVMKD-ZDLGFXPLSA-NSynonyms
(3((Z)(2(23dihydro14benzodioxin3yl)6oxo(13)thiazolo(32b)(124)triazol5ylidene)methyl)phenyl)acetate
3((Z)(2(23dihydro14benzodioxin2yl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
CC(=O)OC1=CC=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
CC(=O)Oc1cccc(c1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC21H15N3O5Sc112(25)281464513(914)101820(26)2421(3018)2219(2324)17112715723816(15)2917h21017H11H21H3b1810
MFCD03464167
ZINC000027020590
ZINC000027020595
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