Vitas-M small molecule compound
3-[6-chloro-1,1-dioxido-2-(pyrrolidin-1-ylcarbonyl)-4H-1,4-benzothiazin-4-yl]benzonitrile
Catalog ID
STL097163
SMILES N#Cc1cccc(c1)N1C=C(C(=O)N2CCCC2)S(=O)(=O)c2c1cc(Cl)cc2
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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 C20H16ClN3O3S MW 413.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O3S/c21-15-6-7-18-17(11-15)24(16-5-3-4-14(10-16)12-22)13-19(28(18,26)27)20(25)23-8-1-2-9-23/h3-7,10-11,13H,1-2,8-9H2InChIKey
CPHMTYFDDVDDSQ-UHFFFAOYSA-NSynonyms
3(6chloro11dioxido2(pyrrolidin1ylcarbonyl)4H14benzothiazin4yl)benzonitrile
3(6chloro11dioxo2(pyrrolidine1carbonyl)1$l^(6)4benzothiazin4yl)benzonitrile
C1CCN(C1)C(=O)C2=CN(C3=C(S2(=O)=O)C=CC(=C3)Cl)C4=CC=CC(=C4)C#N
InChI=1SC20H16ClN3O3Sc2115671817(1115)24(1653414(1016)1222)1319(28(1826)27)20(25)23812923h37101113H1289H2
MFCD18788946
ZINC000067245527
ZINC67245527
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