Vitas-M small molecule compound
4-{(E)-[6-(4-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}-2-methoxyphenyl acetate
Catalog ID
STK904696
SMILES COc1cc(ccc1OC(=O)C)/C=c\1/sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)Cl
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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 C22H16ClN3O5S MW 469.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O5S/c1-12(27)31-17-8-5-14(10-18(17)30-2)11-19-21(29)26-22(32-19)24-20(28)16(25-26)9-13-3-6-15(23)7-4-13/h3-8,10-11H,9H2,1-2H3/b19-11+InChIKey
ZJVXCXDRLYMLCB-YBFXNURJSA-NSynonyms
(4((E)(6((4CHLOROPHENYL)METHYL)37DIOXO(13)THIAZOLO(32B)(124)TRIAZIN2YLIDENE)METHYL)2METHOXYPHENYL)ACETATE
4((E)(6(4chlorobenzyl)37dioxo7H(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=C(C=C4)Cl)S2)OC
COc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)Cl
InChI=1SC22H16ClN3O5Sc112(27)31178514(1018(17)302)111921(29)2622(3219)2420(28)16(2526)9133615(23)7413h381011H9H212H3b1911+
MFCD18076142
ZINC000027022444
ZINC27022444
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