Vitas-M small molecule compound
8-chloro-3-({(E)-[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Catalog ID
STL526913
SMILES Clc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/C1=CC[C@H](CC1)C(=C)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 C20H19ClN4O2 MW 382.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O2/c1-11(2)13-5-3-12(4-6-13)10-22-25-19(26)18-17(24-20(25)27)15-9-14(21)7-8-16(15)23-18/h3,7-10,13,23H,1,4-6H2,2H3,(H,24,27)/b22-10+/t13-/m1/s1InChIKey
NNCVNBRMBRECBB-HKXVIOCSSA-NSynonyms
(SE)8chloro3(((4(prop1en2yl)cyclohex1en1yl)methylene)amino)1Hpyrimido(54b)indole24(3H5H)dione
6873280
8chloro3(((E)((4S)4(prop1en2yl)cyclohex1en1yl)methylidene)amino)1Hpyrimido(54b)indole24(3H5H)dione
8chloro3((~(E))((4~(S))4prop1en2ylcyclohexen1yl)methylideneamino)15dihydropyrimido(54b)indole24dione
8CHLORO3((E)((4S)4PROP1EN2YLCYCLOHEXEN1YL)METHYLIDENEAMINO)15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
Clc1ccc2c(c1)c1(nH)c(=O)n(c(=O)c1(nH)2)N=CC1=CC(C@H)(CC1)C(=C)C
InChI=1SC20H19ClN4O2c111(2)135312(4613)10222519(26)1817(2420(25)27)15914(21)7816(15)2318h37101323H146H22H3(H2427)b2210+t13m1s1
MFCD03006361
ZINC000008768992
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