Vitas-M small molecule compound
(5Z)-2-[4-(hexyloxy)phenyl]-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
STK818316
SMILES CCCCCCOc1ccc(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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-4-6-7-8-16-33-21-12-10-20(11-13-21)25-28-27-30(29-25)26(31)24(35-27)18-19-9-14-22(34-15-5-2)23(17-19)32-3/h5,9-14,17-18H,2,4,6-8,15-16H2,1,3H3/b24-18-InChIKey
FAICFDBCNJWNDZ-MOHJPFBDSA-NSynonyms
(5Z)2(4(hexyloxy)phenyl)5(3methoxy4(prop2en1yloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4HEXOXYPHENYL)5((3METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCC=C)OC)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(c(c1)OC)OCC=C)c2=O
InChI=1SC27H29N3O4Sc14678163321121020(111321)25282730(2925)26(31)24(3527)181991422(341552)23(1719)323h59141718H24681516H213H3b2418
MFCD06643082
ZINC000003651008
ZINC03651008
ZINC3651008
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