Vitas-M small molecule compound

(5E)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-2-[4-(2-methylpropoxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK814487
SMILES CC(COc1ccc(cc1)c1nn2c(n1)s/c(=C/C1=Cc3ccccc3OC1C)/c2=O)C

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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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-15(2)14-30-20-10-8-17(9-11-20)23-26-25-28(27-23)24(29)22(32-25)13-19-12-18-6-4-5-7-21(18)31-16(19)3/h4-13,15-16H,14H2,1-3H3/b22-13+
InChIKey
QRNJNWMARROPQP-LPYMAVHISA-N
Synonyms
618075-63-1
(5E)5((2methyl2Hchromen3yl)methylidene)2(4(2methylpropoxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5E)5((2methyl2Hchromen3yl)methylidene)2(4(2methylpropoxy)phenyl)(13)thiazolo(32b)(124)triazol6one
2(4ISOBUTOXYPHENYL)5((2METHYL2HCHROMEN3YL)METHYLENE)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
618075631
CC(COc1ccc(cc1)c1nn2c(n1)sc(=CC1=Cc3ccccc3OC1C)c2=O)C
CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCC(C)C)S3
InChI=1SC25H23N3O3Sc115(2)14302010817(91120)23262528(2723)24(29)22(3225)13191218645721(18)3116(19)3h4131516H14H213H3b2213+
MFCD04442213
ZINC000002533595
ZINC000016731424

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Available files

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