Vitas-M small molecule compound

(2E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enenitrile

Catalog ID
STK950757
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1[N+](=O)[O-])C)/c1nc2c(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 C21H13N3O3S MW 387.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O3S/c1-13-6-8-16(18(10-13)24(25)26)19-9-7-15(27-19)11-14(12-22)21-23-17-4-2-3-5-20(17)28-21/h2-11H,1H3/b14-11+
InChIKey
BPSNGBHFDHKMDX-SDNWHVSQSA-N
Synonyms
627890-35-1
(2E)2(13benzothiazol2yl)3(5(4methyl2nitrophenyl)furan2yl)prop2enenitrile
(2E)2BENZOTHIAZOL2YL3(5(4METHYL2NITROPHENYL)(2FURYL))PROP2ENENITRILE
(E)2(13BENZOTHIAZOL2YL)3(5(4METHYL2NITROPHENYL)FURAN2YL)PROP2ENENITRILE
627890351
CC1=CC(=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4S3)(N+)(=O)(O)
InChI=1SC21H13N3O3Sc1136816(18(1013)24(25)26)199715(2719)1114(1222)212317423520(17)2821h211H1H3b1411+
MFCD04193696
N#CC(=Cc1ccc(o1)c1ccc(cc1(N+)(=O)(O))C)c1nc2c(s1)cccc2
ZINC000004304291
ZINC04304291
ZINC4304291

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.