Vitas-M small molecule compound
(8S,8aR,11aS)-8-acetyl-10-(5-methoxy-2-methyl-4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK567699
SMILES COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=C1)C(=O)C
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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 C24H21N3O6 MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O6/c1-12-10-17(27(31)32)18(33-3)11-16(12)26-23(29)19-20(24(26)30)22-15-7-5-4-6-14(15)8-9-25(22)21(19)13(2)28/h4-11,19-22H,1-3H3/t19-,20+,21-,22?/m1/s1InChIKey
DPMUTYNODWNDAB-NJDFBWEVSA-NSynonyms
1013837-63-2(8S8aR11aS)8acetyl10(5methoxy2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013837632
CC1=CC(=C(C=C1N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C)OC)(N+)(=O)(O)
COc1cc(c(cc1(N+)(=O)(O))C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)C
InChI=1SC24H21N3O6c1121017(27(31)32)18(333)1116(12)2623(29)1920(24(26)30)2215754614(15)8925(22)21(19)13(2)28h4111922H13H3t1920+2122?m1s1
MFCD18245172
ZINC000013777038
ZINC000015996939
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