Vitas-M small molecule compound
(2Z)-2-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione
Catalog ID
STK769779
SMILES [O-][N+](=O)c1cc(cc(c1C)C)c1ccc(o1)/C=c/1\sc2n(c1=O)c1sc3c(c1c(=O)n2)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 C25H19N3O5S2 MW 505.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O5S2/c1-12-9-14(10-17(13(12)2)28(31)32)18-8-7-15(33-18)11-20-23(30)27-24-21(22(29)26-25(27)35-20)16-5-3-4-6-19(16)34-24/h7-11H,3-6H2,1-2H3/b20-11-InChIKey
HSCQBLNJPJVZDI-JAIQZWGSSA-NSynonyms
(2Z)2((5(34dimethyl5nitrophenyl)furan2yl)methylidene)6789tetrahydro5H(1)benzothieno(32e)(13)thiazolo(32a)pyrimidine15(2H)dione
(O)(N+)(=O)c1cc(cc(c1C)C)c1ccc(o1)C=c1sc2n(c1=O)c1sc3c(c1c(=O)n2)CCCC3
CC1=C(C(=CC(=C1)C2=CC=C(O2)C=C3C(=O)N4C5=C(C6=C(S5)CCCC6)C(=O)N=C4S3)(N+)(=O)(O))C
InChI=1SC25H19N3O5S2c112914(1017(13(12)2)28(31)32)188715(3318)112023(30)272421(22(29)2625(27)3520)16534619(16)3424h711H36H212H3b2011
MFCD03763647
ZINC000012445764
ZINC12445764
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