Vitas-M small molecule compound
7-chloro-5-(methylsulfonyl)-N-[2-(phenylsulfanyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389700
SMILES O=C(C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)C)NCCSc1ccccc1
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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 C19H21ClN2O4S2 MW 440.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O4S2/c1-28(24,25)22-11-9-18(26-17-8-7-14(20)13-16(17)22)19(23)21-10-12-27-15-5-3-2-4-6-15/h2-8,13,18H,9-12H2,1H3,(H,21,23)InChIKey
VJHSZNLKIPNBIQ-UHFFFAOYSA-NSynonyms
7chloro5(methylsulfonyl)N(2(phenylsulfanyl)ethyl)2345tetrahydro15benzoxazepine2carboxamide
7chloro5methylsulfonylN(2phenylsulfanylethyl)34dihydro2H15benzoxazepine2carboxamide
CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCCSC3=CC=CC=C3
InChI=1SC19H21ClN2O4S2c128(2425)2211918(26178714(20)1316(17)22)19(23)21101227155324615h281318H912H21H3(H2123)
MFCD13984211
ZINC000038836606
ZINC000038836608
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