Vitas-M small molecule compound

(6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(2,4-dimethylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

Catalog ID
STK542507
SMILES Cc1ccc(c(c1)C)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 C29H23N5O3 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O3/c1-16-11-13-20(17(2)15-16)33-27(35)24-23-14-12-18-7-3-5-9-21(18)32(23)26(25(24)28(33)36)29(37)34-22-10-6-4-8-19(22)30-31-34/h3-15,23-26H,1-2H3/t23-,24-,25-,26+/m0/s1
InChIKey
AEWDXOCFAGWXFQ-ASDGIDEWSA-N
Synonyms
1014080-48-8
(6aS6bR9aS10R)10(1Hbenzo(d)(123)triazole1carbonyl)8(24dimethylphenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(1Hbenzotriazol1ylcarbonyl)8(24dimethylphenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1014080488
CC1=CC(=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)N6C7=CC=CC=C7N=N6)C
Cc1ccc(c(c1)C)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
InChI=1SC29H23N5O3c116111320(17(2)1516)3327(35)2423141218735921(18)32(23)26(25(24)28(33)36)29(37)34221064819(22)303134h3152326H12H3t23242526+m0s1
MFCD18242003
ZINC000100877263
ZINC100877263

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Available files

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