Vitas-M small molecule compound

3-{[(2E)-5-chloro-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]carbamoyl}pyrazine-2-carboxylic acid

Catalog ID
STL242553
SMILES COc1cc2s/c(=N/C(=O)c3nccnc3C(=O)O)/[nH]c2cc1Cl

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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 C14H9ClN4O4S MW 364.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9ClN4O4S/c1-23-8-5-9-7(4-6(8)15)18-14(24-9)19-12(20)10-11(13(21)22)17-3-2-16-10/h2-5H,1H3,(H,21,22)(H,18,19,20)
InChIKey
HNWCTXATVTWHDH-UHFFFAOYSA-N
Synonyms
1351700-26-9
1351700269
3(((2E)5chloro6methoxy13benzothiazol2(3H)ylidene)carbamoyl)pyrazine2carboxylicacid
3((5chloro6methoxy13benzothiazol2yl)carbamoyl)pyrazine2carboxylicacid
COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C3=NC=CN=C3C(=O)O)Cl
COc1cc2sc(=NC(=O)c3nccnc3C(=O)O)(nH)c2cc1Cl
InChI=1SC14H9ClN4O4Sc1238597(46(8)15)1814(249)1912(20)1011(13(21)22)17321610h25H1H3(H2122)(H181920)
MFCD24859329
ZINC000072401036
ZINC72401036

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Available files

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