Vitas-M small molecule compound

3-[(3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide

Catalog ID
STK573609
SMILES COc1ccccc1CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1ccc(c2C)Cl

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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 C25H25ClN4O5 MW 496.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN4O5/c1-12-15(26)8-7-14-21(12)28-24(34)25(14)20-19(16(29-25)9-10-18(27)31)22(32)30(23(20)33)11-13-5-3-4-6-17(13)35-2/h3-8,16,19-20,29H,9-11H2,1-2H3,(H2,27,31)(H,28,34)/t16?,19-,20+,25?/m1/s1
InChIKey
TZIYRSKDYRAYQK-KMXYGCORSA-N
Synonyms
958965-46-3
3((3AR6AS)6CHLORO5((2METHOXYPHENYL)METHYL)7METHYL246TRIOXOSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)1YL)PROPANAMIDE
3((3aS6aR)6chloro5(2methoxybenzyl)7methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)6chloro5(2methoxybenzyl)7methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
958965463
CC1=C(C=CC2=C1NC(=O)C23C4C(C(N3)CCC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5OC)Cl
COc1ccccc1CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1ccc(c2C)Cl
InChI=1SC25H25ClN4O5c11215(26)871421(12)2824(34)25(14)2019(16(2925)91018(27)31)22(32)30(23(20)33)1113534617(13)352h3816192029H911H212H3(H22731)(H2834)t16?1920+25?m1s1
MFCD06602822
ZINC000016010411
ZINC000020518814

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Available files

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