Vitas-M small molecule compound
4-[(3a'S,6a'R)-7-chloro-3'-(3,4-dihydroxybenzyl)-5-methyl-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
STK593930
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(C)cc2Cl
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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 C29H24ClN3O7 MW 561.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O7/c1-13-9-18-25(19(30)10-13)31-28(39)29(18)24-23(20(32-29)11-15-3-8-21(35)22(36)12-15)26(37)33(27(24)38)16-4-6-17(7-5-16)40-14(2)34/h3-10,12,20,23-24,32,35-36H,11H2,1-2H3,(H,31,39)/t20?,23-,24+,29?/m1/s1InChIKey
QCWJBNRDIMBYET-YQKSCKDHSA-NSynonyms
1212440-88-4(4((3aR6aS)7chloro1((34dihydroxyphenyl)methyl)5methyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)phenyl)acetate
1212440884
4((3aS6aR)7chloro3(34dihydroxybenzyl)5methyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
4((3aS6aR)7chloro3(34dihydroxybenzyl)5methyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(C)cc2Cl
CC1=CC(=C2C(=C1)C3(C4C(C(N3)CC5=CC(=C(C=C5)O)O)C(=O)N(C4=O)C6=CC=C(C=C6)OC(=O)C)C(=O)N2)Cl
InChI=1SC29H24ClN3O7c11391825(19(30)1013)3128(39)29(18)2423(20(3229)11153821(35)22(36)1215)26(37)33(27(24)38)164617(7516)4014(2)34h31012202324323536H11H212H3(H3139)t20?2324+29?m1s1
MFCD18158443
ZINC000101592632
ZINC000101593268
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