Vitas-M small molecule compound
4-oxo-4-[(7Z)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]butanoic acid
Catalog ID
STK993173
SMILES OC(=O)CCC(=O)N1N=C2C(C1c1cccs1)CCC/C/2=C/c1cccs1
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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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c23-17(8-9-18(24)25)22-20(16-7-3-11-27-16)15-6-1-4-13(19(15)21-22)12-14-5-2-10-26-14/h2-3,5,7,10-12,15,20H,1,4,6,8-9H2,(H,24,25)/b13-12-InChIKey
OFSWBVKSEHHYTE-SEYXRHQNSA-NSynonyms
4oxo4((7Z)3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)butanoicacid
4OXO4((7Z)3THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)BUTANOICACID
C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)CCC(=O)O)C4=CC=CS4
InChI=1SC20H20N2O3S2c2317(8918(24)25)2220(1673112716)1561413(19(15)2122)121452102614h235710121520H14689H2(H2425)b1312
MFCD18184768
OC(=O)CCC(=O)N1N=C2C(C1c1cccs1)CCCC2=Cc1cccs1
ZINC000033573711
ZINC000051329697
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