Vitas-M small molecule compound
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(furan-2-ylmethyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093268
SMILES O=C(CSc1nc2cc([nH]c2c(=O)n1Cc1ccco1)C)NCCC1=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 C22H26N4O3S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S/c1-15-12-18-20(24-15)21(28)26(13-17-8-5-11-29-17)22(25-18)30-14-19(27)23-10-9-16-6-3-2-4-7-16/h5-6,8,11-12,24H,2-4,7,9-10,13-14H2,1H3,(H,23,27)InChIKey
CPCBGDQCYJFZBS-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NCCC3=CCCCC3)CC4=CC=CO4
InChI=1SC22H26N4O3Sc115121820(2415)21(28)26(131785112917)22(2518)301419(27)23109166324716h568111224H2479101314H21H3(H2327)
MFCD18787402
N(2(cyclohex1en1yl)ethyl)2((3(furan2ylmethyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(2(cyclohexen1yl)ethyl)2((3(furan2ylmethyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(CSc1nc2cc((nH)c2c(=O)n1Cc1ccco1)C)NCCC1=CCCCC1
ZINC000067236265
ZINC67236265
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