Vitas-M small molecule compound

(6bS,9aR)-3-chloro-10-[(3-methoxyphenyl)carbonyl]-8-(prop-2-en-1-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

Catalog ID
STK631383
SMILES C=CCN1C(=O)[C@H]2[C@@H](C1=O)C(N1C2C=Cc2c1ccc(c2)Cl)C(=O)c1cccc(c1)OC

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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 C25H21ClN2O4 MW 448.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O4/c1-3-11-27-24(30)20-19-9-7-14-12-16(26)8-10-18(14)28(19)22(21(20)25(27)31)23(29)15-5-4-6-17(13-15)32-2/h3-10,12-13,19-22H,1,11H2,2H3/t19?,20-,21-,22?/m1/s1
InChIKey
MXSBLONLZBEEEB-PWAJEDTMSA-N
Synonyms
1014404-26-2
(6bS9aR)3chloro10((3methoxyphenyl)carbonyl)8(prop2en1yl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6bS9aR)8allyl3chloro10(3methoxybenzoyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1014404262
C=CCN1C(=O)(C@H)2(C@@H)(C1=O)C(N1C2C=Cc2c1ccc(c2)Cl)C(=O)c1cccc(c1)OC
COC1=CC=CC(=C1)C(=O)C2C3C(C4N2C5=C(C=C4)C=C(C=C5)Cl)C(=O)N(C3=O)CC=C
InChI=1SC25H21ClN2O4c13112724(30)201997141216(26)81018(14)28(19)22(21(20)25(27)31)23(29)1554617(1315)322h31012131922H111H22H3t19?202122?m1s1
MFCD18246536
ZINC000013721165
ZINC000013721174

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Available files

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