Vitas-M small molecule compound
2-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid
Catalog ID
STL369357
SMILES OC(=O)c1ccccc1c1ccc(o1)/C=N/n1cnc2c(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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c26-21-19-16-7-3-4-8-18(16)30-20(19)23-12-25(21)24-11-13-9-10-17(29-13)14-5-1-2-6-15(14)22(27)28/h1-2,5-6,9-12H,3-4,7-8H2,(H,27,28)/b24-11+InChIKey
FWAUYOVZGXSWRC-BHGWPJFGSA-NSynonyms
2(5((E)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)furan2yl)benzoicacid
2(5((E)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)furan2yl)benzoicacid
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)C5=CC=CC=C5C(=O)O
InChI=1SC22H17N3O4Sc26211916734818(16)3020(19)231225(21)24111391017(2913)14512615(14)22(27)28h1256912H3478H2(H2728)b2411+
MFCD01133419
OC(=O)c1ccccc1c1ccc(o1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
ZINC000001083993
ZINC1083992
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