Vitas-M small molecule compound

(5Z)-2-(4-butoxyphenyl)-5-(3,4-diethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK816582
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(c(c1)OCC)OCC)/s2

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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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/c1-4-7-14-32-19-11-9-18(10-12-19)23-26-25-28(27-23)24(29)22(33-25)16-17-8-13-20(30-5-2)21(15-17)31-6-3/h8-13,15-16H,4-7,14H2,1-3H3/b22-16-
InChIKey
YKZVIRURCCLCFG-JWGURIENSA-N
Synonyms

(5Z)2(4BUTOXYPHENYL)5((34DIETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4butoxyphenyl)5(34diethoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCC)OCC)SC3=N2
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(c(c1)OCC)OCC)s2
InChI=1SC25H27N3O4Sc14714321911918(101219)23262528(2723)24(29)22(3325)161781320(3052)21(1517)3163h8131516H4714H213H3b2216
MFCD03533295
ZINC000003636998
ZINC03636998
ZINC3636998

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Available files

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