Vitas-M small molecule compound
3-[(2Z)-5-methyl-2-(2-thioxobutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
Catalog ID
STK396371
SMILES CCC(=S)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])cc(cc2)C
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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 C15H18NO3S3 MW 356.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19NO3S3/c1-3-12(20)10-15-16(7-4-8-22(17,18)19)13-9-11(2)5-6-14(13)21-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19)/p-1/b15-10-InChIKey
JUGWSQUFWGNGRS-GDNBJRDFSA-MSynonyms
3((2Z)5METHYL2(2SULFANYLIDENEBUTYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3((2Z)5METHYL2(2THIOXOBUTYLIDENE)13BENZOTHIAZOL3(2H)YL)PROPANE1SULFONATE
CCC(=S)C=C1N(C2=C(S1)C=CC(=C2)C)CCCS(=O)(=O)(O)
CCC(=S)C=c1sc2c(n1CCCS(=O)(=O)(O))cc(cc2)C
InChI=1SC15H19NO3S3c1312(20)101516(74822(1718)19)13911(2)5614(13)2115h56910H3478H212H3(H171819)p1b1510
MFCD00643201
ZINC000002026216
ZINC02026216
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