Vitas-M small molecule compound
3-[(2Z)-5-chloro-2-(2-thioxopropylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
Catalog ID
STK396379
SMILES CC(=S)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])cc(cc2)Cl
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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 C13H13ClNO3S3 MW 362.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClNO3S3/c1-9(19)7-13-15(5-2-6-21(16,17)18)11-8-10(14)3-4-12(11)20-13/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,18)/p-1/b13-7-InChIKey
VFBVESVFBNWFFS-QPEQYQDCSA-MSynonyms
3((2Z)5CHLORO2(2SULFANYLIDENEPROPYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3((2Z)5chloro2(2thioxopropylidene)13benzothiazol3(2H)yl)propane1sulfonate
3(5CHLORO2(2THIOXOPROPYLIDENE)BENZOTHIAZOL3YL)PROPANE1SULFONICACID
CC(=S)C=C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)(O)
CC(=S)C=c1sc2c(n1CCCS(=O)(=O)(O))cc(cc2)Cl
InChI=1SC13H14ClNO3S3c19(19)71315(52621(1617)18)11810(14)3412(11)2013h3478H256H21H3(H161718)p1b137
MFCD00643218
ZINC000002026227
ZINC02026227
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