Vitas-M small molecule compound
(2E)-2-cyano-3-{2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK181044
SMILES CCOc1ccc(cc1)NC(=O)/C(=C/c1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C)/C#N
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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 C34H37N3O2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N3O2/c1-4-39-32-11-7-30(8-12-32)36-33(38)28(21-35)17-27-13-22(2)37(23(27)3)31-9-5-29(6-10-31)34-18-24-14-25(19-34)16-26(15-24)20-34/h5-13,17,24-26H,4,14-16,18-20H2,1-3H3,(H,36,38)/b28-17+InChIKey
VKPJSEKDNMCPQE-OGLMXYFKSA-NSynonyms
(2E)2cyano3(25dimethyl1(4(tricyclo(3311~37~)dec1yl)phenyl)1Hpyrrol3yl)N(4ethoxyphenyl)prop2enamide
(E)3(1(4(1adamantyl)phenyl)25dimethylpyrrol3yl)2cyanoN(4ethoxyphenyl)prop2enamide
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)C)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C)C#N
InChI=1SC34H37N3O2c14393211730(81232)3633(38)28(2135)17271322(2)37(23(27)3)319529(61031)3418241425(1934)1626(1524)2034h513172426H414161820H213H3(H3638)b2817+
MFCD03162505
ZINC000012341859
ZINC12341859
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