Vitas-M small molecule compound
3-[(2Z)-5-methoxy-2-(2-thioxopropylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
Catalog ID
STK396383
SMILES COc1ccc2c(c1)n(CCCS(=O)(=O)[O-])/c(=C/C(=S)C)/s2
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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 C14H16NO4S3 MW 358.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17NO4S3/c1-10(20)8-14-15(6-3-7-22(16,17)18)12-9-11(19-2)4-5-13(12)21-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17,18)/p-1/b14-8-InChIKey
LBEWJRSAUSTFRP-ZSOIEALJSA-MSynonyms
3((2Z)5METHOXY2(2SULFANYLIDENEPROPYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3((2Z)5METHOXY2(2THIOXOPROPYLIDENE)13BENZOTHIAZOL3(2H)YL)PROPANE1SULFONATE
CC(=S)C=C1N(C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)(O)
COc1ccc2c(c1)n(CCCS(=O)(=O)(O))c(=CC(=S)C)s2
InChI=1SC14H17NO4S3c110(20)81415(63722(1617)18)12911(192)4513(12)2114h4589H367H212H3(H161718)p1b148
MFCD00643228
ZINC000003145423
ZINC03145423
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