Vitas-M small molecule compound
3-butyl-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL084727
SMILES CCCCn1c(SCC(=O)N2CCCc3c2cccc3)nc2c(c1=O)[nH]cc2c1ccccc1
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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 C27H28N4O2S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S/c1-2-3-15-31-26(33)25-24(21(17-28-25)19-10-5-4-6-11-19)29-27(31)34-18-23(32)30-16-9-13-20-12-7-8-14-22(20)30/h4-8,10-12,14,17,28H,2-3,9,13,15-16,18H2,1H3InChIKey
HJZDMCROTFEANL-UHFFFAOYSA-NSynonyms
3butyl2((2(34dihydroquinolin1(2H)yl)2oxoethyl)sulfanyl)7phenyl35dihydro4Hpyrrolo(32d)pyrimidin4one
3butyl2(2(34dihydro2Hquinolin1yl)2oxoethyl)sulfanyl7phenyl5Hpyrrolo(32d)pyrimidin4one
CCCCN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)N4CCCC5=CC=CC=C54
CCCCn1c(SCC(=O)N2CCCc3c2cccc3)nc2c(c1=O)(nH)cc2c1ccccc1
InChI=1SC27H28N4O2Sc123153126(33)2524(21(172825)19105461119)2927(31)341823(32)30169132012781422(20)30h481012141728H23913151618H21H3
MFCD18203260
ZINC000057522960
ZINC57522960
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