Vitas-M small molecule compound
(12aS)-2-[2-(cyclohex-1-en-1-yl)ethyl]-6-(2,3-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537839
SMILES COc1cccc(c1OC)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 C30H33N3O4 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O4/c1-36-25-14-8-12-21(29(25)37-2)28-27-22(20-11-6-7-13-23(20)31-27)17-24-30(35)32(18-26(34)33(24)28)16-15-19-9-4-3-5-10-19/h6-9,11-14,24,28,31H,3-5,10,15-18H2,1-2H3/t24-,28?/m0/s1InChIKey
JEOYHBVIMZTRCK-ZZDYIDRTSA-NSynonyms
956816-89-0(12aS)2(2(cyclohex1en1yl)ethyl)6(23dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(2(cyclohex1en1yl)ethyl)6(23dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(2(cyclohexen1yl)ethyl)2(23dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399852
956816890
COc1cccc(c1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC1=CCCCC1
InChI=1SC30H33N3O4c136251481221(29(25)372)282722(2011671323(20)3127)172430(35)32(1826(34)33(24)28)16151994351019h691114242831H35101518H212H3t2428?m0s1
MFCD04146094
ZINC000002105020
ZINC000002105021
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