Vitas-M small molecule compound

3-{2-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-5-yl}-6-hexyl-7-hydroxy-2H-chromen-2-one

Catalog ID
STK889239
SMILES CCCCCCc1cc2cc(c3cnc(s3)N3N=C4C(C3c3ccc(cc3)Cl)CCC/C/4=C\c3ccc(cc3)Cl)c(=O)oc2cc1O

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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 C38H35Cl2N3O3S MW 684.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35Cl2N3O3S/c1-2-3-4-5-7-25-19-27-20-31(37(45)46-33(27)21-32(25)44)34-22-41-38(47-34)43-36(24-12-16-29(40)17-13-24)30-9-6-8-26(35(30)42-43)18-23-10-14-28(39)15-11-23/h10-22,30,36,44H,2-9H2,1H3/b26-18+
InChIKey
YIISXKAPYGFZJC-NLRVBDNBSA-N
Synonyms

3(2((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)13THIAZOL5YL)6HEXYL7HYDROXYCHROMEN2ONE
3(2((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)13thiazol5yl)6hexyl7hydroxy2Hchromen2one
CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN=C(S3)N4C(C5CCCC(=CC6=CC=C(C=C6)Cl)C5=N4)C7=CC=C(C=C7)Cl)O
CCCCCCc1cc2cc(c3cnc(s3)N3N=C4C(C3c3ccc(cc3)Cl)CCCC4=Cc3ccc(cc3)Cl)c(=O)oc2cc1O
InChI=1SC38H35Cl2N3O3Sc1234572519272031(37(45)4633(27)2132(25)44)34224138(4734)4336(24121629(40)171324)3096826(35(30)4243)1823101428(39)151123h1022303644H29H21H3b2618+
MFCD03489632
ZINC000097965235
ZINC000097965238

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Available files

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