Vitas-M small molecule compound
4-[(3a'S,6a'R)-5-chloro-3'-(3,4-dihydroxybenzyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl acetate
Catalog ID
STK581834
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(Cl)cc2
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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 C28H22ClN3O7 MW 547.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O7/c1-13(33)39-17-6-4-16(5-7-17)32-25(36)23-20(10-14-2-9-21(34)22(35)11-14)31-28(24(23)26(32)37)18-12-15(29)3-8-19(18)30-27(28)38/h2-9,11-12,20,23-24,31,34-35H,10H2,1H3,(H,30,38)/t20?,23-,24+,28?/m1/s1InChIKey
KXFBVFVJPXOQQG-IHPLILTRSA-NSynonyms
1013983-10-2(4((3aR6aS)5chloro1((34dihydroxyphenyl)methyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)phenyl)acetate
1013983102
4((3aS6aR)5chloro3(34dihydroxybenzyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
4((3aS6aR)5chloro3(34dihydroxybenzyl)246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)Cl)NC4=O)CC6=CC(=C(C=C6)O)O
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(Cl)cc2
InChI=1SC28H22ClN3O7c113(33)39176416(5717)3225(36)2320(10142921(34)22(35)1114)3128(24(23)26(32)37)181215(29)3819(18)3027(28)38h291112202324313435H10H21H3(H3038)t20?2324+28?m1s1
MFCD06778221
ZINC000101334846
ZINC000101334857
Check stock
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