Vitas-M small molecule compound

1,3-diacetyl-9-methyl-2-thioxo-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one

Catalog ID
STK783558
SMILES O=C1CN(C(=O)C)C(=S)N(c2c(O1)ccc(c2)C)C(=O)C

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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 C14H14N2O4S MW 306.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O4S/c1-8-4-5-12-11(6-8)16(10(3)18)14(21)15(9(2)17)7-13(19)20-12/h4-6H,7H2,1-3H3
InChIKey
APMJZJKOHBXGSE-UHFFFAOYSA-N
Synonyms

13DIACETYL9METHYL2SULFANYLIDENE4H613BENZOXADIAZOCIN5ONE
13diacetyl9methyl2thioxo1234tetrahydro5H613benzoxadiazocin5one
CC1=CC2=C(C=C1)OC(=O)CN(C(=S)N2C(=O)C)C(=O)C
InChI=1SC14H14N2O4Sc18451211(68)16(10(3)18)14(21)15(9(2)17)713(19)2012h46H7H213H3
MFCD06618422
ZINC000004751435
ZINC04751435
ZINC4751435

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Available files

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