Vitas-M small molecule compound

(3R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

Catalog ID
STK595288
SMILES O=C1N(C2CCCCC2)C(=O)[C@@H]2[C@H]1[C@H](Cc1ccccc1)N[C@@]12C(=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 C27H28ClN3O3 MW 477.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O3/c1-15-19(28)13-12-18-23(15)29-26(34)27(18)22-21(20(30-27)14-16-8-4-2-5-9-16)24(32)31(25(22)33)17-10-6-3-7-11-17/h2,4-5,8-9,12-13,17,20-22,30H,3,6-7,10-11,14H2,1H3,(H,29,34)/t20-,21+,22-,27-/m0/s1
InChIKey
HYWUNRDQQCWJEJ-RJESQKRESA-N
Synonyms
1014091-12-3
(1R3S3aS6aR)3benzyl6chloro5cyclohexyl7methyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(1S3R3AR6AS)1BENZYL6CHLORO5CYCLOHEXYL7METHYLSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)246TRIONE
(3R3S3aS6aR)3benzyl6chloro5cyclohexyl7methyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014091123
CC1=C(C=CC2=C1NC(=O)C23C4C(C(N3)CC5=CC=CC=C5)C(=O)N(C4=O)C6CCCCC6)Cl
InChI=1SC27H28ClN3O3c11519(28)13121823(15)2926(34)27(18)2221(20(3027)14168425916)24(32)31(25(22)33)17106371117h24589121317202230H367101114H21H3(H2934)t2021+2227m0s1
MFCD18246013
O=C1N(C2CCCCC2)C(=O)(C@@H)2(C@H)1(C@H)(Cc1ccccc1)N(C@@)12C(=O)Nc2c1ccc(c2C)Cl
ZINC000016012359
ZINC16012359

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Available files

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