Vitas-M small molecule compound
ethyl 4-[({[6-methyl-4-oxo-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]piperidine-1-carboxylate
Catalog ID
STL103926
SMILES CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc([nH]c2c(=O)n1C(C)C)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 C20H29N5O4S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N5O4S/c1-5-29-20(28)24-8-6-14(7-9-24)22-16(26)11-30-19-23-15-10-13(4)21-17(15)18(27)25(19)12(2)3/h10,12,14,21H,5-9,11H2,1-4H3,(H,22,26)InChIKey
OQWFOQBJJFPAON-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc((nH)c2c(=O)n1C(C)C)C
CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2C(C)C)NC(=C3)C
ethyl4((((6methyl4oxo3(propan2yl)45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
ethyl4((2((6methyl4oxo3propan2yl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
InChI=1SC20H29N5O4Sc152920(28)248614(7924)2216(26)11301923151013(4)2117(15)18(27)25(19)12(2)3h10121421H5911H214H3(H2226)
MFCD20735528
ZINC000067239518
ZINC67239518
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