Vitas-M small molecule compound

(5Z)-2-(4-butoxyphenyl)-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK904874
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(c(c1)C)OCC=C)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 C34H31N5O3S MW 589.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N5O3S/c1-4-6-19-41-28-15-12-24(13-16-28)32-35-34-39(37-32)33(40)30(43-34)21-26-22-38(27-10-8-7-9-11-27)36-31(26)25-14-17-29(23(3)20-25)42-18-5-2/h5,7-17,20-22H,2,4,6,18-19H2,1,3H3/b30-21-
InChIKey
VDMBMOFRXQUCEY-OFWBYEQRSA-N
Synonyms

(5Z)2(4butoxyphenyl)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCC=C)C)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)C)OCC=C)c1ccccc1)c2=O
InChI=1SC34H31N5O3Sc146194128151224(131628)32353439(3732)33(40)30(4334)21262238(27108791127)3631(26)25141729(23(3)2025)421852h57172022H2461819H213H3b3021
MFCD03534528
ZINC000097947351
ZINC97947351

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Available files

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