Vitas-M small molecule compound
(5E)-5-(2H-chromen-3-ylmethylidene)-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK814765
SMILES CCOc1ccc(cc1)c1nn2c(n1)s/c(=C/C1=Cc3c(OC1)cccc3)/c2=O
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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 C22H17N3O3S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3S/c1-2-27-17-9-7-15(8-10-17)20-23-22-25(24-20)21(26)19(29-22)12-14-11-16-5-3-4-6-18(16)28-13-14/h3-12H,2,13H2,1H3/b19-12+InChIKey
JVUNSFRAUJXMMR-XDHOZWIPSA-NSynonyms
(5E)5(2Hchromen3ylmethylidene)2(4ethoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5E)5(2HCHROMEN3YLMETHYLIDENE)2(4ETHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC5=CC=CC=C5OC4)SC3=N2
CCOc1ccc(cc1)c1nn2c(n1)sc(=CC1=Cc3c(OC1)cccc3)c2=O
InChI=1SC22H17N3O3Sc1227179715(81017)20232225(2420)21(26)19(2922)12141116534618(16)281314h312H213H21H3b1912+
MFCD04442311
ZINC000006355370
ZINC06355370
ZINC6355370
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