Vitas-M small molecule compound
methyl 4-[(4S,4aR)-2-amino-1,3,3-tricyano-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulen-4-yl]benzoate
Catalog ID
STK001598
SMILES COC(=O)c1ccc(cc1)[C@@H]1[C@H]2C3CCC(N3C)C=C2C(=C(C1(C#N)C#N)N)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 C23H21N5O2 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O2/c1-28-15-7-8-18(28)19-16(9-15)17(10-24)21(27)23(11-25,12-26)20(19)13-3-5-14(6-4-13)22(29)30-2/h3-6,9,15,18-20H,7-8,27H2,1-2H3/t15?,18?,19-,20-/m1/s1InChIKey
KBLRNVGKQOQYOE-CVMOCDCISA-NSynonyms
303980-27-0303980270
CN1C2CCC1C3C(C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)(C@@H)1(C@H)2C3CCC(N3C)C=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC23H21N5O2c128157818(28)1916(915)17(1024)21(27)23(11251226)20(19)133514(6413)22(29)302h369151820H7827H212H3t15?18?1920m1s1
methyl4((4S4aR)2amino133tricyano10methyl44a5678hexahydro3H58epiminobenzo(7)annulen4yl)benzoate
MFCD01835806
STK001598
ZINC000103685924
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