Vitas-M small molecule compound
3-{2-[(7E)-7-(4-bromobenzylidene)-3-(4-bromophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-5-yl}-7-(diethylamino)-2H-chromen-2-one
Catalog ID
STK889236
SMILES CCN(c1ccc2c(c1)oc(=O)c(c2)c1cnc(s1)N1N=C2C(C1c1ccc(cc1)Br)CCC/C/2=C\c1ccc(cc1)Br)CC
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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 C36H32Br2N4O2S MW 744.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32Br2N4O2S/c1-3-41(4-2)28-17-12-24-19-30(35(43)44-31(24)20-28)32-21-39-36(45-32)42-34(23-10-15-27(38)16-11-23)29-7-5-6-25(33(29)40-42)18-22-8-13-26(37)14-9-22/h8-21,29,34H,3-7H2,1-2H3/b25-18+InChIKey
KVDXKKJSSIXEFP-XIEYBQDHSA-NSynonyms
3(2((7E)3(4BROMOPHENYL)7((4BROMOPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)13THIAZOL5YL)7(DIETHYLAMINO)CHROMEN2ONE
3(2((7E)7(4bromobenzylidene)3(4bromophenyl)33a4567hexahydro2Hindazol2yl)13thiazol5yl)7(diethylamino)2Hchromen2one
CCN(c1ccc2c(c1)oc(=O)c(c2)c1cnc(s1)N1N=C2C(C1c1ccc(cc1)Br)CCCC2=Cc1ccc(cc1)Br)CC
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CN=C(S3)N4C(C5CCCC(=CC6=CC=C(C=C6)Br)C5=N4)C7=CC=C(C=C7)Br
InChI=1SC36H32Br2N4O2Sc1341(42)281712241930(35(43)4431(24)2028)32213936(4532)4234(23101527(38)161123)2975625(33(29)4042)182281326(37)14922h8212934H37H212H3b2518+
MFCD00713146
ZINC000097965223
ZINC000097965226
Check stock
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Check stock on Vitas-MAvailable files
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