Vitas-M small molecule compound
(5Z)-2-(4-methoxyphenyl)-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
STK813045
SMILES COc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1ccc(c(c1)C)OC(C)C)c1ccccc1)/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 C31H27N5O3S MW 549.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O3S/c1-19(2)39-26-15-12-22(16-20(26)3)28-23(18-35(33-28)24-8-6-5-7-9-24)17-27-30(37)36-31(40-27)32-29(34-36)21-10-13-25(38-4)14-11-21/h5-19H,1-4H3/b27-17-InChIKey
NWXCFCBMMZYIGU-PKAZHMFMSA-NSynonyms
623935-24-0(5Z)2(4methoxyphenyl)5((3(3methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4METHOXYPHENYL)5((3(3METHYL4PROPAN2YLOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
5((3(4ISOPROPOXY3METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2(4METHOXYPHENYL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
623935240
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC)S3)C6=CC=CC=C6)OC(C)C
COc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1cn(nc1c1ccc(c(c1)C)OC(C)C)c1ccccc1)s2
InChI=1SC31H27N5O3Sc119(2)3926151222(1620(26)3)2823(1835(3328)248657924)172730(37)3631(4027)3229(3436)21101325(384)141121h519H14H3b2717
MFCD03534793
ZINC000002508970
ZINC2508970
Check stock
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Check stock on Vitas-MAvailable files
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