Vitas-M small molecule compound
7-{[2-(4-chloro-3-methyl-1H-pyrazol-1-yl)propanoyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK249747
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1nc(c(c1)Cl)C)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 C18H19ClN6O4S3 MW 515.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN6O4S3/c1-7-11(19)4-24(23-7)8(2)14(26)20-12-15(27)25-13(17(28)29)10(5-30-16(12)25)6-31-18-22-21-9(3)32-18/h4,8,12,16H,5-6H2,1-3H3,(H,20,26)(H,28,29)InChIKey
OMERHHWMZXXOBP-UHFFFAOYSA-NSynonyms
1214177-36-21214177362
7((2(4CHLORO3METHYL1HPYRAZOL1YL)PROPANOYL)AMINO)3(((5METHYL134THIADIAZOL2YL)SULFANYL)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7(2(4CHLORO3METHYLPYRAZOL1YL)PROPANOYLAMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN(C=C1Cl)C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O
InChI=1SC18H19ClN6O4S3c1711(19)424(237)8(2)14(26)201215(27)2513(17(28)29)10(53016(12)25)6311822219(3)3218h481216H56H213H3(H2026)(H2829)
MFCD05667328
ZINC000009974934
ZINC000012406510
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