Vitas-M small molecule compound

methyl 2-sulfanyl-1,3-benzoxazole-5-carboxylate

Catalog ID
STK665081
SMILES COC(=O)c1ccc2c(c1)nc(o2)S

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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 C9H7NO3S MW 209.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H7NO3S/c1-12-8(11)5-2-3-7-6(4-5)10-9(14)13-7/h2-4H,1H3,(H,10,14)
InChIKey
JMJGRFGKJKXVPP-UHFFFAOYSA-N
Synonyms
72730-39-3
13BENZOXAZOLE5CARBOXYLICACID2MERCAPTOMETHYLESTER
2MERCAPTO13BENZOXAZOLE5CARBOXYLICACIDMETHYLESTER
5METHOXYCARBONYLBENZOXAZOLTHIONE
72730393
COC(=O)C1=CC2=C(C=C1)OC(=S)N2
InChI=1SC9H7NO3Sc1128(11)52376(45)109(14)137h24H1H3(H1014)
METHYL2MERCAPTOBENZO(D)OXAZOLE5CARBOXYLATE
methyl2sulfanyl13benzoxazole5carboxylate
METHYL2SULFANYLBENZOXAZOLE5CARBOXYLATE
METHYL2SULFANYLIDENE3H13BENZOXAZOLE5CARBOXYLATE
METHYL2THIOXO23DIHYDROBENZO(D)OXAZOLE5CARBOXYLATE
MFCD07800461
ZINC000096299807
ZINC96299807

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.