Vitas-M small molecule compound
2-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-5-yl}-3H-benzo[f]chromen-3-one
Catalog ID
STK889237
SMILES O=c1oc2ccc3c(c2cc1c1cnc(s1)N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)cccc3
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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 C36H27N3O2S MW 565.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27N3O2S/c40-35-30(21-29-27-16-8-7-12-24(27)18-19-31(29)41-35)32-22-37-36(42-32)39-34(25-13-5-2-6-14-25)28-17-9-15-26(33(28)38-39)20-23-10-3-1-4-11-23/h1-8,10-14,16,18-22,28,34H,9,15,17H2/b26-20+InChIKey
SQWUQFQPOISLGK-LHLOQNFPSA-NSynonyms
2(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)13thiazol5yl)3Hbenzo(f)chromen3one
2(2((7E)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)13thiazol5yl)benzo(f)chromen3one
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C4=NC=C(S4)C5=CC6=C(C=CC7=CC=CC=C76)OC5=O)C8=CC=CC=C8
InChI=1SC36H27N3O2Sc403530(21292716871224(27)181931(29)4135)32223736(4232)3934(25135261425)281791526(33(28)3839)2023103141123h1810141618222834H91517H2b2620+
MFCD03489629
O=c1oc2ccc3c(c2cc1c1cnc(s1)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1)cccc3
ZINC000097965227
ZINC000097965230
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