Vitas-M small molecule compound
2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL402517
SMILES [O-][N+](=O)c1cnn(c1)Cc1ccc(o1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C18H15N5O4S MW 397.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O4S/c24-17-15-12-3-1-2-4-14(12)28-18(15)21-16(20-17)13-6-5-11(27-13)9-22-8-10(7-19-22)23(25)26/h5-8H,1-4,9H2,(H,20,21,24)InChIKey
OJUMEAGOZLCEMW-UHFFFAOYSA-NSynonyms
1005578-85-7(O)(N+)(=O)c1cnn(c1)Cc1ccc(o1)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
1005578857
2(5((4nitro1Hpyrazol1yl)methyl)furan2yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(5((4nitropyrazol1yl)methyl)furan2yl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=C(O4)CN5C=C(C=N5)(N+)(=O)(O)
InChI=1SC18H15N5O4Sc24171512312414(12)2818(15)2116(2017)136511(2713)922810(71922)23(25)26h58H149H2(H202124)
MFCD06195843
ZINC000017081250
ZINC17081250
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