Vitas-M small molecule compound
4-[bis(2-chloroethyl)sulfamoyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Catalog ID
STK685307
SMILES ClCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C#N)CCCC2)CCCl
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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 C20H21Cl2N3O3S2 MW 486.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2N3O3S2/c21-9-11-25(12-10-22)30(27,28)15-7-5-14(6-8-15)19(26)24-20-17(13-23)16-3-1-2-4-18(16)29-20/h5-8H,1-4,9-12H2,(H,24,26)InChIKey
LKCBQKLSKRTVFB-UHFFFAOYSA-NSynonyms
4(bis(2chloroethyl)sulfamoyl)N(3cyano4567tetrahydro1benzothiophen2yl)benzamide
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCCl)CCCl)C#N
InChI=1SC20H21Cl2N3O3S2c2191125(121022)30(2728)157514(6815)19(26)242017(1323)16312418(16)2920h58H14912H2(H2426)
MFCD05858304
ZINC000001429248
ZINC1429248
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