Vitas-M small molecule compound
(5Z)-5-(3-ethoxy-4-propoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK903555
SMILES CCCOc1ccc(cc1OCC)/C=c/1\sc2n(c1=O)ncn2
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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 C16H17N3O3S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3S/c1-3-7-22-12-6-5-11(8-13(12)21-4-2)9-14-15(20)19-16(23-14)17-10-18-19/h5-6,8-10H,3-4,7H2,1-2H3/b14-9-InChIKey
LNBBBAYJFWHMRJ-ZROIWOOFSA-NSynonyms
(5Z)5((3ETHOXY4PROPOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(3ethoxy4propoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(E)5(3ethoxy4propoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
CCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC=N3)S2)OCC
CCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)ncn2
InChI=1SC16H17N3O3Sc13722126511(813(12)2142)91415(20)1916(2314)17101819h56810H347H212H3b149
MFCD04441267
ZINC000028629669
ZINC28629669
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