Vitas-M small molecule compound
3-{2-[(2-amino-2-oxoethyl)sulfanyl]-8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl}propanoic acid
Catalog ID
STL145635
SMILES COc1ccc2c(c1)c1nc(SCC(=O)N)n(c(=O)c1[nH]2)CCC(=O)O
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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 C16H16N4O5S MW 376.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O5S/c1-25-8-2-3-10-9(6-8)13-14(18-10)15(24)20(5-4-12(22)23)16(19-13)26-7-11(17)21/h2-3,6,18H,4-5,7H2,1H3,(H2,17,21)(H,22,23)InChIKey
JZZZEPDYNGNWLM-UHFFFAOYSA-NSynonyms
3(2((2amino2oxoethyl)sulfanyl)8methoxy4oxo45dihydro3Hpyrimido(54b)indol3yl)propanoicacid
3(2((2AMINO2OXOETHYL)THIO)8METHOXY4OXO45DIHYDRO3HPYRIMIDO(54B)INDOL3YL)PROPANOICACID
3(2(2amino2oxoethyl)sulfanyl8methoxy4oxo5Hpyrimido(54b)indol3yl)propanoicacid
COC1=CC2=C(C=C1)NC3=C2N=C(N(C3=O)CCC(=O)O)SCC(=O)N
COc1ccc2c(c1)c1nc(SCC(=O)N)n(c(=O)c1(nH)2)CCC(=O)O
InChI=1SC16H16N4O5Sc125823109(68)1314(1810)15(24)20(5412(22)23)16(1913)26711(17)21h23618H457H21H3(H21721)(H2223)
MFCD14726447
ZINC000004878319
ZINC4878319
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