Vitas-M small molecule compound

4-{[2'-(2,4-dimethoxyphenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinolin]-1'-yl]carbonyl}phenyl acetate

Catalog ID
STL056974
SMILES COc1ccc(c(c1)OC)C1C(C(=O)c2ccc(cc2)OC(=O)C)N2C(C31C(=O)c1c(C3=O)cccc1)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 C37H29NO7 MW 599.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H29NO7/c1-21(39)45-24-15-12-23(13-16-24)34(40)33-32(28-18-17-25(43-2)20-30(28)44-3)37(35(41)26-9-5-6-10-27(26)36(37)42)31-19-14-22-8-4-7-11-29(22)38(31)33/h4-20,31-33H,1-3H3
InChIKey
OQSQTQWZVGEJLS-UHFFFAOYSA-N
Synonyms

(4(2(24DIMETHOXYPHENYL)13DIOXOSPIRO(23ADIHYDRO1HPYRROLO(12A)QUINOLINE32INDENE)1CARBONYL)PHENYL)ACETATE
4((1R2R)2(24dimethoxyphenyl)13dioxo1233atetrahydro1Hspiro(indene23pyrrolo(12a)quinolin)1ylcarbonyl)phenylacetate
4((2(24dimethoxyphenyl)13dioxo1123tetrahydro3aHspiro(indene23pyrrolo(12a)quinolin)1yl)carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=C(C=C(C=C7)OC)OC
COc1ccc(c(c1)OC)(C@H)1(C@H)(C(=O)c2ccc(cc2)OC(=O)C)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
InChI=1SC37H29NO7c121(39)4524151223(131624)34(40)3332(28181725(432)2030(28)443)37(35(41)269561027(26)36(37)42)311914228471129(22)38(31)33h4203133H13H3
MFCD05731759
ZINC000102896754
ZINC000229924173

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Available files

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