Vitas-M small molecule compound
2-{2-[(4-butyl-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK549860
SMILES CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3SCCN1C(=O)c2c(C1=O)cccc2
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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 C26H26N4O2S2 MW 490.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S2/c1-2-3-11-19-15-9-6-10-16(15)20-21-22(34-23(20)29-19)24(28-14-27-21)33-13-12-30-25(31)17-7-4-5-8-18(17)26(30)32/h4-5,7-8,14,20,23H,2-3,6,9-13H2,1H3InChIKey
NFXSGKZGTSQFEY-UHFFFAOYSA-NSynonyms
2(2((4butyl235a10btetrahydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)sulfanyl)ethyl)1Hisoindole13(2H)dione
CCCCC1=NC2C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SCCN5C(=O)C6=CC=CC=C6C5=O
InChI=1SC26H26N4O2S2c123111915961016(15)202122(3423(20)2919)24(28142721)3313123025(31)17745818(17)26(30)32h4578142023H236913H21H3
MFCD03678363
ZINC000026960035
ZINC000026960065
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