Vitas-M small molecule compound
ethyl 4-({[(3-butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)piperidine-1-carboxylate
Catalog ID
STL093859
SMILES CCCCn1c(SCC(=O)NC2CCN(CC2)C(=O)OCC)nc2c(c1=O)[nH]c(c2)C
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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 C21H31N5O4S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5O4S/c1-4-6-9-26-19(28)18-16(12-14(3)22-18)24-20(26)31-13-17(27)23-15-7-10-25(11-8-15)21(29)30-5-2/h12,15,22H,4-11,13H2,1-3H3,(H,23,27)InChIKey
SAEBWHTVAOWMJD-UHFFFAOYSA-NSynonyms
CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3CCN(CC3)C(=O)OCC
CCCCn1c(SCC(=O)NC2CCN(CC2)C(=O)OCC)nc2c(c1=O)(nH)c(c2)C
ethyl4((((3butyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
ethyl4((2((3butyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
InChI=1SC21H31N5O4Sc14692619(28)1816(1214(3)2218)2420(26)311317(27)231571025(11815)21(29)3052h121522H41113H213H3(H2327)
MFCD18787993
ZINC000067239331
ZINC67239331
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