Vitas-M small molecule compound
3-[(2Z)-2-(2-thioxobutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
Catalog ID
STK396378
SMILES CCC(=S)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])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 C14H16NO3S3 MW 342.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17NO3S3/c1-2-11(19)10-14-15(8-5-9-21(16,17)18)12-6-3-4-7-13(12)20-14/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17,18)/p-1/b14-10-InChIKey
BATOTSHCIOGUJH-UVTDQMKNSA-MSynonyms
3((2Z)2(2SULFANYLIDENEBUTYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3((2Z)2(2thioxobutylidene)13benzothiazol3(2H)yl)propane1sulfonate
CCC(=S)C=C1N(C2=CC=CC=C2S1)CCCS(=O)(=O)(O)
CCC(=S)C=c1sc2c(n1CCCS(=O)(=O)(O))cccc2
InChI=1SC14H17NO3S3c1211(19)101415(85921(1617)18)12634713(12)2014h346710H2589H21H3(H161718)p1b1410
MFCD00643216
SODIUM3((2Z)2(2SULFANYLIDENEBUTYLIDENE)13BENZOTHIAZOL3YL)1PROPANESULFONATE
SODIUM3((2Z)2(2SULFANYLIDENEBUTYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
SODIUM3((2Z)2(2THIOXOBUTYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
SODIUM3(2(2THIOXOBUTYLIDENE)13BENZOTHIAZOL3(2H)YL)1PROPANESULFONATE
ZINC000002913690
ZINC02913690
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