Vitas-M small molecule compound
8-bromo-3-({(E)-[(1R)-2,4,6-trimethylcyclohex-3-en-1-yl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Catalog ID
STK537717
SMILES CC1=CC([C@@H](C(C1)C)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Br)C
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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 C20H21BrN4O2 MW 429.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4O2/c1-10-6-11(2)15(12(3)7-10)9-22-25-19(26)18-17(24-20(25)27)14-8-13(21)4-5-16(14)23-18/h4-6,8-9,11-12,15,23H,7H2,1-3H3,(H,24,27)/b22-9+/t11?,12?,15-/m0/s1InChIKey
NYWPAKLNECOAEP-MCTNZJBGSA-NSynonyms
8bromo3(((E)((1R)246trimethylcyclohex3en1yl)methylidene)amino)1Hpyrimido(54b)indole24(3H5H)dione
8BROMO3((1((R)246TRIMETHYLCYCLOHEX3ENYL)METH(E)YLIDENE)AMINO)15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
8bromo3((E)(((1R)246trimethylcyclohex3en1yl)methylene)amino)1Hpyrimido(54b)indole24(3H5H)dione
8bromo3((E)((1R)246trimethylcyclohex3en1yl)methylideneamino)15dihydropyrimido(54b)indole24dione
CC1=CC((C@@H)(C(C1)C)C=Nn1c(=O)(nH)c2c(c1=O)(nH)c1c2cc(cc1)Br)C
CC1CC(=CC(C1C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Br)NC2=O)C)C
InChI=1SC20H21BrN4O2c110611(2)15(12(3)710)9222519(26)1817(2420(25)27)14813(21)4516(14)2318h468911121523H7H213H3(H2427)b229+t11?12?15m0s1
MFCD18241693
ZINC000009309862
ZINC000017044556
Check stock
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Check stock on Vitas-MAvailable files
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