Vitas-M small molecule compound
methyl 4-{(12aS)-2-[2-(cyclohex-1-en-1-yl)ethyl]-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl}benzoate
Catalog ID
STL536944
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCC1=CCCCC1
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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 C30H31N3O4 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O4/c1-37-30(36)21-13-11-20(12-14-21)28-27-23(22-9-5-6-10-24(22)31-27)17-25-29(35)32(18-26(34)33(25)28)16-15-19-7-3-2-4-8-19/h5-7,9-14,25,28,31H,2-4,8,15-18H2,1H3/t25-,28?/m0/s1InChIKey
HLISWTKXULUEDQ-ALLRNTDFSA-NSynonyms
956969-89-416401865
956969894
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC1=CCCCC1
InChI=1SC30H31N3O4c13730(36)21131120(121421)282723(229561024(22)3127)172529(35)32(1826(34)33(25)28)1615197324819h57914252831H2481518H21H3t2528?m0s1
methyl4((12aS)2(2(cyclohex1en1yl)ethyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6(2(cyclohexen1yl)ethyl)47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05676991
ZINC000002125340
ZINC000002125341
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