Vitas-M small molecule compound
(5Z)-5-(4-butoxy-3-ethoxybenzylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816087
SMILES CCCCOc1ccc(cc1OCC)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCCC
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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 C26H29N3O4S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4S/c1-4-7-15-33-21-13-8-18(16-22(21)31-6-3)17-23-25(30)29-26(34-23)27-24(28-29)19-9-11-20(12-10-19)32-14-5-2/h8-13,16-17H,4-7,14-15H2,1-3H3/b23-17-InChIKey
FUMQPVYRXUXGQW-QJOMJCCJSA-NSynonyms
(5Z)5((4BUTOXY3ETHOXYPHENYL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4butoxy3ethoxybenzylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCC)S2)OCC
CCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCC
InChI=1SC26H29N3O4Sc14715332113818(1622(21)3163)172325(30)2926(3423)2724(2829)1991120(121019)321452h8131617H471415H213H3b2317
MFCD03533497
ZINC000016733049
ZINC16733049
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