Vitas-M small molecule compound
3-chloro-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-7-nitro-1-benzothiophene-2-carboxamide
Catalog ID
STK240397
SMILES COc1cc2sc(nc2cc1Cl)NC(=O)c1sc2c(c1Cl)cccc2[N+](=O)[O-]
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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 C17H9Cl2N3O4S2 MW 454.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9Cl2N3O4S2/c1-26-11-6-12-9(5-8(11)18)20-17(27-12)21-16(23)15-13(19)7-3-2-4-10(22(24)25)14(7)28-15/h2-6H,1H3,(H,20,21,23)InChIKey
XVSWWQNDGQPKCO-UHFFFAOYSA-NSynonyms
3chloroN(5chloro6methoxy13benzothiazol2yl)7nitro1benzothiophene2carboxamide
COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)(N+)(=O)(O))Cl)Cl
COc1cc2sc(nc2cc1Cl)NC(=O)c1sc2c(c1Cl)cccc2(N+)(=O)(O)
InChI=1SC17H9Cl2N3O4S2c126116129(58(11)18)2017(2712)2116(23)1513(19)732410(22(24)25)14(7)2815h26H1H3(H202123)
MFCD07144010
ZINC000009226492
ZINC09226492
ZINC9226492
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