Vitas-M small molecule compound
(4-methyl-1,3-thiazol-5-yl){(7E)-3-(4-methyl-1,3-thiazol-5-yl)-7-[(4-methyl-1,3-thiazol-5-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone
Catalog ID
STL176205
SMILES Cc1ncsc1C1C2CCC/C(=C\c3scnc3C)/C2=NN1C(=O)c1scnc1C
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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 C21H21N5OS3 MW 455.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS3/c1-11-16(28-8-22-11)7-14-5-4-6-15-17(14)25-26(18(15)19-12(2)23-9-29-19)21(27)20-13(3)24-10-30-20/h7-10,15,18H,4-6H2,1-3H3/b14-7+InChIKey
PNIUCFHDIMNVIK-VGOFMYFVSA-NSynonyms
827586-29-8(4methyl13thiazol5yl)((7E)3(4methyl13thiazol5yl)7((4methyl13thiazol5yl)methylidene)33a4567hexahydro2Hindazol2yl)methanone
(4METHYL13THIAZOL5YL)((7E)3(4METHYL13THIAZOL5YL)7((4METHYL13THIAZOL5YL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
827586298
CC1=C(SC=N1)C=C2CCCC3C2=NN(C3C4=C(N=CS4)C)C(=O)C5=C(N=CS5)C
Cc1ncsc1C1C2CCCC(=Cc3scnc3C)C2=NN1C(=O)c1scnc1C
InChI=1SC21H21N5OS3c11116(2882211)7145461517(14)2526(18(15)1912(2)2392919)21(27)2013(3)24103020h7101518H46H213H3b147+
MFCD03468073
ZINC000020602239
ZINC000020602242
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