Vitas-M small molecule compound
(3R,3'S,3a'S,6a'R)-5'-(1,3-benzodioxol-5-yl)-3'-benzyl-6-chloro-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
STK590036
SMILES O=C1N(c2ccc3c(c2)OCO3)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 C28H22ClN3O5 MW 515.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O5/c1-14-18(29)9-8-17-24(14)30-27(35)28(17)23-22(19(31-28)11-15-5-3-2-4-6-15)25(33)32(26(23)34)16-7-10-20-21(12-16)37-13-36-20/h2-10,12,19,22-23,31H,11,13H2,1H3,(H,30,35)/t19-,22+,23-,28-/m0/s1InChIKey
XZTBIWMMJZCLSO-NLPMMIMISA-NSynonyms
1014069-06-7(1R3S3aS6aR)5(benzo(d)(13)dioxol5yl)3benzyl6chloro7methyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(1S3R3AR6AS)5(13BENZODIOXOL5YL)1BENZYL6CHLORO7METHYLSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)246TRIONE
(3R3S3aS6aR)5(13benzodioxol5yl)3benzyl6chloro7methyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014069067
CC1=C(C=CC2=C1NC(=O)C23C4C(C(N3)CC5=CC=CC=C5)C(=O)N(C4=O)C6=CC7=C(C=C6)OCO7)Cl
InChI=1SC28H22ClN3O5c11418(29)981724(14)3027(35)28(17)2322(19(3128)11155324615)25(33)32(26(23)34)167102021(1216)37133620h2101219222331H1113H21H3(H3035)t1922+2328m0s1
MFCD18245872
O=C1N(c2ccc3c(c2)OCO3)C(=O)(C@@H)2(C@H)1(C@H)(Cc1ccccc1)N(C@@)12C(=O)Nc2c1ccc(c2C)Cl
ZINC000016010317
ZINC16010317
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