Vitas-M small molecule compound

2-chloro-N-{2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide

Catalog ID
STK724145
SMILES COc1ccc(cc1CSc1sc2c(n1)ccc(c2)NC(=O)c1ccccc1Cl)[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 C22H16ClN3O4S2 MW 485.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S2/c1-30-19-9-7-15(26(28)29)10-13(19)12-31-22-25-18-8-6-14(11-20(18)32-22)24-21(27)16-4-2-3-5-17(16)23/h2-11H,12H2,1H3,(H,24,27)
InChIKey
WDRFAKFMSCNBLB-UHFFFAOYSA-N
Synonyms

2chloroN(2((2methoxy5nitrobenzyl)sulfanyl)13benzothiazol6yl)benzamide
2CHLORON(2((2METHOXY5NITROPHENYL)METHYLSULFANYL)13BENZOTHIAZOL6YL)BENZAMIDE
COC1=C(C=C(C=C1)(N+)(=O)(O))CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl
COc1ccc(cc1CSc1sc2c(n1)ccc(c2)NC(=O)c1ccccc1Cl)(N+)(=O)(O)
InChI=1SC22H16ClN3O4S2c130199715(26(28)29)1013(19)12312225188614(1120(18)3222)2421(27)16423517(16)23h211H12H21H3(H2427)
MFCD01626389
ZINC000003669543
ZINC03669543
ZINC3669543

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Available files

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