Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(4-methylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK544262
SMILES Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
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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 C28H21N5O3 MW 475.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O3/c1-16-10-13-18(14-11-16)31-26(34)23-22-15-12-17-6-2-4-8-20(17)32(22)25(24(23)27(31)35)28(36)33-21-9-5-3-7-19(21)29-30-33/h2-15,22-25H,1H3/t22-,23-,24-,25+/m0/s1InChIKey
SMELYNXPSTVKQP-OJJQZRKESA-NSynonyms
1014080-42-2(6aS6bR9aS10R)10(1Hbenzo(d)(123)triazole1carbonyl)8(ptolyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(1Hbenzotriazol1ylcarbonyl)8(4methylphenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1014080422
CC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)N6C7=CC=CC=C7N=N6
Cc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
InChI=1SC28H21N5O3c116101318(141116)3126(34)2322151217624820(17)32(22)25(24(23)27(31)35)28(36)3321953719(21)293033h2152225H1H3t22232425+m0s1
MFCD18242138
ZINC000017995898
ZINC17995898
Check stock
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Check stock on Vitas-MAvailable files
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