Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-({3-[3-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK905141
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(c(c1)C)OC(C)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 C34H33N5O3S MW 591.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O3S/c1-5-6-18-41-28-15-12-24(13-16-28)32-35-34-39(37-32)33(40)30(43-34)20-26-21-38(27-10-8-7-9-11-27)36-31(26)25-14-17-29(23(4)19-25)42-22(2)3/h7-17,19-22H,5-6,18H2,1-4H3/b30-20-InChIKey
OYMKJSHNKYVPQU-COEJQBHMSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(3methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(3METHYL4PROPAN2YLOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OC(C)C)C)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)C)OC(C)C)c1ccccc1)c2=O
InChI=1SC34H33N5O3Sc156184128151224(131628)32353439(3732)33(40)30(4334)20262138(27108791127)3631(26)25141729(23(4)1925)4222(2)3h7171922H5618H214H3b3020
MFCD03534796
ZINC000097947399
ZINC97947399
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