Vitas-M small molecule compound
3-{[(E)-{3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK158119
SMILES CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/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 C26H21F3N4O5S MW 558.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21F3N4O5S/c1-2-37-21-11-15(7-9-20(21)38-19-10-8-16(26(27,28)29)12-18(19)33(35)36)13-31-32-14-30-24-23(25(32)34)17-5-3-4-6-22(17)39-24/h7-14H,2-6H2,1H3/b31-13+InChIKey
GFWSZVHJRUGZEZ-IURWMYGYSA-NSynonyms
3(((E)(3ethoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(3ethoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C=CC(=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OC5=C(C=C(C=C5)C(F)(F)F)(N+)(=O)(O)
CCOc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC26H21F3N4O5Sc1237211115(7920(21)381910816(26(2728)29)1218(19)33(35)36)13313214302423(25(32)34)17534622(17)3924h714H26H21H3b3113+
MFCD07037471
ZINC000100167003
ZINC101646805
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