Vitas-M small molecule compound

3-[(2E)-1,3-benzothiazol-2(3H)-ylidenecarbamoyl]pyrazine-2-carboxylic acid

Catalog ID
STK653117
SMILES O=C(c1nccnc1C(=O)O)/N=c\1/sc2c([nH]1)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 C13H8N4O3S MW 300.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N4O3S/c18-11(9-10(12(19)20)15-6-5-14-9)17-13-16-7-3-1-2-4-8(7)21-13/h1-6H,(H,19,20)(H,16,17,18)
InChIKey
LMBWCTMUDBICCO-UHFFFAOYSA-N
Synonyms
1144495-38-4
1144495384
3((2E)13benzothiazol2(3H)ylidenecarbamoyl)pyrazine2carboxylicacid
3(13benzothiazol2ylcarbamoyl)pyrazine2carboxylicacid
C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=NC=CN=C3C(=O)O
InChI=1SC13H8N4O3Sc1811(910(12(19)20)1565149)171316731248(7)2113h16H(H1920)(H161718)
MFCD18166571
O=C(c1nccnc1C(=O)O)N=c1sc2c((nH)1)cccc2
ZINC000031815433
ZINC31815433

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Available files

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