Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904876
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1C)OCCC)c1ccccc1)/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 C34H33N5O3S MW 591.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O3S/c1-4-6-19-42-27-14-12-24(13-15-27)32-35-34-39(37-32)33(40)30(43-34)21-25-22-38(26-10-8-7-9-11-26)36-31(25)29-17-16-28(20-23(29)3)41-18-5-2/h7-17,20-22H,4-6,18-19H2,1-3H3/b30-21-InChIKey
NYJGUWOPGTWPIT-OFWBYEQRSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=C(C=C(C=C5)OCCC)C)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1C)OCCC)c1ccccc1)c2=O
InChI=1SC34H33N5O3Sc146194227141224(131527)32353439(3732)33(40)30(4334)21252238(26108791126)3631(25)29171628(2023(29)3)411852h7172022H461819H213H3b3021
MFCD03534608
ZINC000097947352
ZINC97947352
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