Vitas-M small molecule compound
[4-(morpholin-4-yl)-3-nitrophenyl][(7E)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STL286792
SMILES O=C(N1N=C2C(C1c1cccs1)CCC/C/2=C\c1cccs1)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
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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 C27H26N4O4S2 MW 534.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S2/c32-27(19-8-9-22(23(17-19)31(33)34)29-10-12-35-13-11-29)30-26(24-7-3-15-37-24)21-6-1-4-18(25(21)28-30)16-20-5-2-14-36-20/h2-3,5,7-9,14-17,21,26H,1,4,6,10-13H2/b18-16+InChIKey
BKOYERJOPBZSCY-FBMGVBCBSA-NSynonyms
(4(morpholin4yl)3nitrophenyl)((7E)3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)methanone
(4MORPHOLIN4YL3NITROPHENYL)((7E)3THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)C4=CC(=C(C=C4)N5CCOCC5)(N+)(=O)(O))C6=CC=CS6
InChI=1SC27H26N4O4S2c3227(198922(23(1719)31(33)34)29101235131129)3026(2473153724)2161418(25(21)2830)162052143620h2357914172126H1461013H2b1816+
MFCD02699427
O=C(N1N=C2C(C1c1cccs1)CCCC2=Cc1cccs1)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1
ZINC000097971214
ZINC000097971217
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