Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STL387349
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1OC)[N+](=O)[O-])/Sc1nc2c(s1)cccc2
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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 C21H13N3O4S2 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O4S2/c1-27-19-10-13(24(25)26)6-8-16(19)18-9-7-14(28-18)11-15(12-22)29-21-23-17-4-2-3-5-20(17)30-21/h2-11H,1H3/b15-11+InChIKey
VXYKALVUAPZXEM-RVDMUPIBSA-NSynonyms
(2E)2(13benzothiazol2ylsulfanyl)3(5(2methoxy4nitrophenyl)furan2yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YLSULFANYL)3(5(2METHOXY4NITROPHENYL)FURAN2YL)PROP2ENENITRILE
COC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3
InChI=1SC21H13N3O4S2c127191013(24(25)26)6816(19)189714(2818)1115(1222)29212317423520(17)3021h211H1H3b1511+
MFCD09440661
N#CC(=Cc1ccc(o1)c1ccc(cc1OC)(N+)(=O)(O))Sc1nc2c(s1)cccc2
ZINC000014608544
ZINC14608544
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