Vitas-M small molecule compound
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Catalog ID
STL398425
SMILES O=C(C(n1cc(c(n1)C)Br)C)Nn1c(C)nc2c(c1=O)c1CCCCc1s2
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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 C18H20BrN5O2S MW 450.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrN5O2S/c1-9-13(19)8-23(21-9)10(2)16(25)22-24-11(3)20-17-15(18(24)26)12-6-4-5-7-14(12)27-17/h8,10H,4-7H2,1-3H3,(H,22,25)InChIKey
ZFHWSBKUNGZSLK-UHFFFAOYSA-NSynonyms
1005558-13-31005558133
2(4bromo3methyl1Hpyrazol1yl)N(2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)propanamide
2(4bromo3methylpyrazol1yl)N(2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)propanamide
CC1=NN(C=C1Br)C(C)C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CCCC4)C
InChI=1SC18H20BrN5O2Sc1913(19)823(219)10(2)16(25)222411(3)201715(18(24)26)12645714(12)2717h810H47H213H3(H2225)
MFCD04043426
ZINC000002777909
ZINC000002777910
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