Vitas-M small molecule compound
(12aR)-2-[3-(1H-imidazol-1-yl)propyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL564974
SMILES O=C1CN(CCCn2ccnc2)C(=O)[C@@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2
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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 C26H24N6O4 MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N6O4/c33-23-15-30(11-4-10-29-12-9-27-16-29)26(34)22-14-20-19-7-1-2-8-21(19)28-24(20)25(31(22)23)17-5-3-6-18(13-17)32(35)36/h1-3,5-9,12-13,16,22,25,28H,4,10-11,14-15H2/t22-,25?/m1/s1InChIKey
TZWXERXTGQRKCD-UFUCKMQHSA-NSynonyms
(12aR)2(3(1Himidazol1yl)propyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(3(1Himidazol1yl)propyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8R)6(3imidazol1ylpropyl)2(3nitrophenyl)3617triazatetracyclo(87003801116)heptadeca1(10)111315tetraene47dione
145705561
InChI=1SC26H24N6O4c33231530(1141029129271629)26(34)22142019712821(19)2824(20)25(31(22)23)1753618(1317)32(35)36h1359121316222528H410111415H2t2225?m1s1
O=C1CN(CCCn2ccnc2)C(=O)(C@H)2N1C(c1cccc(c1)(N+)(=O)(O))c1c(C2)c2c((nH)1)cccc2
ZINC000016042276
ZINC000016042277
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