Vitas-M small molecule compound
(4-chloro-1-ethyl-1H-pyrazol-3-yl)[(7E)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK302257
SMILES CCn1cc(c(n1)C(=O)N1N=C2C(C1c1cccs1)CCC/C/2=C\c1cccs1)Cl
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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 C22H21ClN4OS2 MW 457.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4OS2/c1-2-26-13-17(23)20(24-26)22(28)27-21(18-9-5-11-30-18)16-8-3-6-14(19(16)25-27)12-15-7-4-10-29-15/h4-5,7,9-13,16,21H,2-3,6,8H2,1H3/b14-12+InChIKey
LAYGSBQLNPJVMR-WYMLVPIESA-NSynonyms
512817-21-9(4chloro1ethyl1Hpyrazol3yl)((7E)3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)methanone
(4CHLORO1ETHYLPYRAZOL3YL)((7E)3THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
512817219
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC=CS4)C3=N2)C5=CC=CS5)Cl
CCn1cc(c(n1)C(=O)N1N=C2C(C1c1cccs1)CCCC2=Cc1cccs1)Cl
InChI=1SC22H21ClN4OS2c12261317(23)20(2426)22(28)2721(1895113018)1683614(19(16)2527)121574102915h4579131621H2368H21H3b1412+
MFCD03467956
ZINC000008455424
ZINC000008455427
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