Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816586
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(c(c1)OC)OCC=C)/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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-4-6-14-31-19-10-8-18(9-11-19)23-26-25-28(27-23)24(29)22(33-25)16-17-7-12-20(32-13-5-2)21(15-17)30-3/h5,7-12,15-16H,2,4,6,13-14H2,1,3H3/b22-16-InChIKey
LHKQMXPDOBBVCA-JWGURIENSA-NSynonyms
(5Z)2(4BUTOXYPHENYL)5((3METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4butoxyphenyl)5(3methoxy4(prop2en1yloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCC=C)OC)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(c(c1)OC)OCC=C)c2=O
InChI=1SC25H25N3O4Sc14614311910818(91119)23262528(2723)24(29)22(3325)161771220(321352)21(1517)303h57121516H2461314H213H3b2216
MFCD03533367
ZINC000003637002
ZINC03637002
ZINC3637002
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