Vitas-M small molecule compound

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

Catalog ID
STK544446
SMILES Clc1cccc(c1)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 C27H18ClN5O3 MW 495.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN5O3/c28-16-7-5-8-17(14-16)31-25(34)22-21-13-12-15-6-1-3-10-19(15)32(21)24(23(22)26(31)35)27(36)33-20-11-4-2-9-18(20)29-30-33/h1-14,21-24H/t21-,22-,23-,24+/m0/s1
InChIKey
RAKVKTHXXJYLDS-NEWJYFPISA-N
Synonyms
956981-05-8
(6aS6bR9aS10R)10(1Hbenzo(d)(123)triazole1carbonyl)8(3chlorophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(1Hbenzotriazol1ylcarbonyl)8(3chlorophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
956981058
C1=CC=C2C(=C1)C=CC3N2C(C4C3C(=O)N(C4=O)C5=CC(=CC=C5)Cl)C(=O)N6C7=CC=CC=C7N=N6
Clc1cccc(c1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
InChI=1SC27H18ClN5O3c281675817(1416)3125(34)22211312156131019(15)32(21)24(23(22)26(31)35)27(36)33201142918(20)293033h1142124Ht21222324+m0s1
MFCD18242150
ZINC000016037261
ZINC16037261

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Available files

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