Vitas-M small molecule compound
4-({(1'S,2'S,3R,3a'R)-2'-[(3,4-dimethoxyphenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-1'-yl}carbonyl)phenyl acetate
Catalog ID
STL527805
SMILES COc1ccc(cc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC(=O)C)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
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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 C37H30N2O7 MW 614.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30N2O7/c1-21(40)46-25-16-12-23(13-17-25)35(42)33-32(34(41)24-14-18-29(44-2)30(20-24)45-3)37(26-9-5-6-10-27(26)38-36(37)43)31-19-15-22-8-4-7-11-28(22)39(31)33/h4-20,31-33H,1-3H3,(H,38,43)/t31-,32+,33+,37-/m1/s1InChIKey
QIZWBQAWQCMFBT-JMNGKNCGSA-NSynonyms
1177607-21-4(4((1~(S)2~(S)3~(R)3~(a)~(R))2(34dimethoxybenzoyl)2oxospiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)1carbonyl)phenyl)acetate
1177607214
16398270
4(((1S2S3R3aR)2((34dimethoxyphenyl)carbonyl)2oxo1122tetrahydro3aHspiro(indole33pyrrolo(12a)quinolin)1yl)carbonyl)phenylacetate
4((1S2S3R3aR)2(34dimethoxybenzoyl)2oxo23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)1ylcarbonyl)phenylacetate
COc1ccc(cc1OC)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)OC(=O)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
InChI=1SC37H30N2O7c121(40)4625161223(131725)35(42)3332(34(41)24141829(442)30(2024)453)37(269561027(26)3836(37)43)311915228471128(22)39(31)33h4203133H13H3(H3843)t3132+33+37m1s1
MFCD03661375
ZINC000070673606
ZINC70673606
Check stock
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Check stock on Vitas-MAvailable files
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