Vitas-M small molecule compound

(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK996023
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cc2CCCN3c2c(c1)CCC3)CCC1=CCCCC1

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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 C25H29N3O2S MW 435.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2S/c29-23-21(24(30)28(25(31)26-23)13-10-17-6-2-1-3-7-17)16-18-14-19-8-4-11-27-12-5-9-20(15-18)22(19)27/h6,14-16H,1-5,7-13H2,(H,26,29,31)/b21-16-
InChIKey
LTVOZZCFVRNTEM-PGMHBOJBSA-N
Synonyms
371221-58-8
(5Z)1(2(cyclohex1en1yl)ethyl)5(2367tetrahydro1H5Hpyrido(321ij)quinolin9ylmethylidene)2thioxodihydropyrimidine46(1H5H)dione
(Z)1(2(cyclohex1en1yl)ethyl)5((123567hexahydropyrido(321ij)quinolin9yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
371221588
C1CCC(=CC1)CCN2C(=O)C(=CC3=CC4=C5C(=C3)CCCN5CCC4)C(=O)NC2=S
InChI=1SC25H29N3O2Sc292321(24(30)28(25(31)2623)1310176213717)16181419841127125920(1518)22(19)27h61416H15713H2(H262931)b2116
MFCD03010284
O=C1NC(=S)N(C(=O)C1=Cc1cc2CCCN3c2c(c1)CCC3)CCC1=CCCCC1
ZINC000013550938
ZINC13550938

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Available files

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