Vitas-M small molecule compound
prop-2-en-1-yl 2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092820
SMILES C=CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)c1ccccc1
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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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c1-3-13-25-19(24)17-18-15-11-7-8-12-16(15)26-21(17,2)23(20(27)22-18)14-9-5-4-6-10-14/h3-12,17-18H,1,13H2,2H3,(H,22,27)InChIKey
MQTPOMKPNGSBKO-UHFFFAOYSA-NSynonyms
557782-81-7557782817
CC12C(C(C3=CC=CC=C3O1)NC(=S)N2C4=CC=CC=C4)C(=O)OCC=C
InChI=1SC21H20N2O3Sc13132519(24)17181511781216(15)2621(172)23(20(27)2218)1495461014h3121718H113H22H3(H2227)
MFCD15086153
prop2en1yl2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
ZINC000104787029
ZINC000104787032
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