Vitas-M small molecule compound
{3-[(E)-{2,4,6-trioxo-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]tetrahydropyrimidin-5(2H)-ylidene}methyl]-1H-indol-1-yl}acetonitrile
Catalog ID
STK144967
SMILES N#CCn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
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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 C31H28N4O3 MW 504.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O3/c32-9-10-34-18-22(25-3-1-2-4-27(25)34)14-26-28(36)33-30(38)35(29(26)37)24-7-5-23(6-8-24)31-15-19-11-20(16-31)13-21(12-19)17-31/h1-8,14,18-21H,10-13,15-17H2,(H,33,36,38)/b26-14+InChIKey
OYVPQDPIRCAHDF-VULFUBBASA-NSynonyms
(3((E)(246trioxo1(4(tricyclo(3311~37~)dec1yl)phenyl)tetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)acetonitrile
2(3((E)(1(4(1ADAMANTYL)PHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETONITRILE
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N5C(=O)C(=CC6=CN(C7=CC=CC=C76)CC#N)C(=O)NC5=O
InChI=1SC31H28N4O3c32910341822(25312427(25)34)142628(36)3330(38)35(29(26)37)247523(6824)3115191120(1631)1321(1219)1731h18141821H10131517H2(H333638)b2614+
MFCD03244268
N#CCn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
ZINC000009601658
ZINC09601658
ZINC9601658
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